(2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one

C180H179Br3ClN21O23 — CID 172941155

IUPAC(2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one
SMILESC#Cc1ccccn1.CC1C/C(=N/O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1CC(=O)CCN1.CC1CC(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1CC(=O)NCCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1CNC(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1Cc2nc3cc(Br)ccc3c(=O)n2CCN1.CC1Cc2nc3cc(Br)ccc3c(=O)n2CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1Cc2nc3cc(C#Cc4ccccn4)ccc3c(=O)n2CCN1.NO.Nc1cc(Br)ccc1OC=O.O=C(Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H24BrN3O3.3C21H22N2O3.C21H21NO3.C20H18N4O.C15H11ClO2.C13H14BrN3O.C7H6BrNO2.C7H5N.C6H11NO.H3NO/c1-17-14-26-30-25-15-18(29)10-11-23(25)27(33)32(26)13-12-31(17)28(34)35-16-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24;1-14-12-15(22-25)10-11-23(14)21(24)26-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-12-20(24)22-10-11-23(14)21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19;1-14-12-22-20(24)10-11-23(14)21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19;1-14-12-15(23)10-11-22(14)21(24)25-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-12-19-23-18-13-15(5-7-16-4-2-3-9-22-16)6-8-17(18)20(25)24(19)11-10-21-14;16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;1-8-6-12-16-11-7-9(14)2-3-10(11)13(18)17(12)5-4-15-8;8-5-1-2-7(11-4-10)6(9)3-5;1-2-7-5-3-4-6-8-7;1-5-4-6(8)2-3-7-5;1-2/h2-11,15,17,24H,12-14,16H2,1H3;2-9,14,20,25H,10-13H2,1H3;2*2-9,14,19H,10-13H2,1H3,(H,22,24);2-9,14,20H,10-13H2,1H3;2-4,6,8-9,13-14,21H,10-12H2,1H3;1-8,14H,9H2;2-3,7-8,15H,4-6H2,1H3;1-4H,9H2;1,3-6H;5,7H,2-4H2,1H3;2H,1H2/b;22-15+;;;;;;;;;;
InChIKeyFCOHVBCKULRGBB-NILTWZOZSA-N
MW3279.70 g/mol
LogP29.77
Rot. Bonds14

About (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one

(2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one (PubChem CID 172941155) has the molecular formula C180H179Br3ClN21O23 and a molecular weight of 3279.70 g/mol. Its IUPAC name is (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one.

Molecular Properties

Compound Name(2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one
PubChem CID172941155
Molecular FormulaC180H179Br3ClN21O23
Molecular Weight3279.70 g/mol
Exact Mass3274.07
IUPAC Name(2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one
SMILESC#Cc1ccccn1.CC1C/C(=N/O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1CC(=O)CCN1.CC1CC(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1CC(=O)NCCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1CNC(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1Cc2nc3cc(Br)ccc3c(=O)n2CCN1.CC1Cc2nc3cc(Br)ccc3c(=O)n2CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1Cc2nc3cc(C#Cc4ccccn4)ccc3c(=O)n2CCN1.NO.Nc1cc(Br)ccc1OC=O.O=C(Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H24BrN3O3.3C21H22N2O3.C21H21NO3.C20H18N4O.C15H11ClO2.C13H14BrN3O.C7H6BrNO2.C7H5N.C6H11NO.H3NO/c1-17-14-26-30-25-15-18(29)10-11-23(25)27(33)32(26)13-12-31(17)28(34)35-16-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24;1-14-12-15(22-25)10-11-23(14)21(24)26-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-12-20(24)22-10-11-23(14)21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19;1-14-12-22-20(24)10-11-23(14)21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19;1-14-12-15(23)10-11-22(14)21(24)25-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-12-19-23-18-13-15(5-7-16-4-2-3-9-22-16)6-8-17(18)20(25)24(19)11-10-21-14;16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;1-8-6-12-16-11-7-9(14)2-3-10(11)13(18)17(12)5-4-15-8;8-5-1-2-7(11-4-10)6(9)3-5;1-2-7-5-3-4-6-8-7;1-5-4-6(8)2-3-7-5;1-2/h2-11,15,17,24H,12-14,16H2,1H3;2-9,14,20,25H,10-13H2,1H3;2*2-9,14,19H,10-13H2,1H3,(H,22,24);2-9,14,20H,10-13H2,1H3;2-4,6,8-9,13-14,21H,10-12H2,1H3;1-8,14H,9H2;2-3,7-8,15H,4-6H2,1H3;1-4H,9H2;1,3-6H;5,7H,2-4H2,1H3;2H,1H2/b;22-15+;;;;;;;;;;
InChIKeyFCOHVBCKULRGBB-NILTWZOZSA-N
XLogP29.77
TPSA564.04 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds14
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003279.70
LogP ≤ 529.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one?
The IUPAC name of (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one (CID 172941155) is (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one.
What is the SMILES notation for (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one?
The canonical SMILES for (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one is C#Cc1ccccn1.CC1C/C(=N/O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1CC(=O)CCN1.CC1CC(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1CC(=O)NCCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1CNC(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1Cc2nc3cc(Br)ccc3c(=O)n2CCN1.CC1Cc2nc3cc(Br)ccc3c(=O)n2CCN1C(=O)OCC1c2ccccc2-c2ccccc21.CC1Cc2nc3cc(C#Cc4ccccn4)ccc3c(=O)n2CCN1.NO.Nc1cc(Br)ccc1OC=O.O=C(Cl)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one?
The InChIKey is FCOHVBCKULRGBB-NILTWZOZSA-N. The full InChI is InChI=1S/C28H24BrN3O3.3C21H22N2O3.C21H21NO3.C20H18N4O.C15H11ClO2.C13H14BrN3O.C7H6BrNO2.C7H5N.C6H11NO.H3NO/c1-17-14-26-30-25-15-18(29)10-11-23(25)27(33)32(26)13-12-31(17)28(34)35-16-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24;1-14-12-15(22-25)10-11-23(14)21(24)26-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-12-20(24)22-10-11-23(14)21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19;1-14-12-22-20(24)10-11-23(14)21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19;1-14-12-15(23)10-11-22(14)21(24)25-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-12-19-23-18-13-15(5-7-16-4-2-3-9-22-16)6-8-17(18)20(25)24(19)11-10-21-14;16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;1-8-6-12-16-11-7-9(14)2-3-10(11)13(18)17(12)5-4-15-8;8-5-1-2-7(11-4-10)6(9)3-5;1-2-7-5-3-4-6-8-7;1-5-4-6(8)2-3-7-5;1-2/h2-11,15,17,24H,12-14,16H2,1H3;2-9,14,20,25H,10-13H2,1H3;2*2-9,14,19H,10-13H2,1H3,(H,22,24);2-9,14,20H,10-13H2,1H3;2-4,6,8-9,13-14,21H,10-12H2,1H3;1-8,14H,9H2;2-3,7-8,15H,4-6H2,1H3;1-4H,9H2;1,3-6H;5,7H,2-4H2,1H3;2H,1H2/b;22-15+;;;;;;;;;;.
What are the key properties of (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one?
(2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one has a molecular weight of 3279.70 g/mol, XLogP of 29.77, 14 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromophenyl) formate;8-bromo-4-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one;2-ethynylpyridine;9H-fluoren-9-ylmethyl 8-bromo-4-methyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-3-carboxylate;9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl (4E)-4-hydroxyimino-2-methylpiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate;9H-fluoren-9-ylmethyl 2-methyl-4-oxopiperidine-1-carboxylate;hydroxylamine;2-methylpiperidin-4-one;4-methyl-8-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[7,1-b]quinazolin-11-one is sourced from PubChem (CID 172941155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).