3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine

C74H74BrN17O5 — CID 163594756

IUPAC3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine
SMILESCNC.Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(NC(=O)/C=C/CN(C)C)c3)ncc2c1.Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(NC(=O)CC/C=C/CBr)c3)ncc2c1
InChIInChI=1S/C26H24BrN5O2.C26H26N6O2.C20H17N5O.C2H7N/c1-17-11-13-28-25(34)24(17)18-9-10-22-19(14-18)16-29-26(32-22)31-21-7-5-6-20(15-21)30-23(33)8-3-2-4-12-27;1-17-11-12-27-25(34)24(17)18-9-10-22-19(14-18)16-28-26(31-22)30-21-7-4-6-20(15-21)29-23(33)8-5-13-32(2)3;1-12-7-8-22-19(26)18(12)13-5-6-17-14(9-13)11-23-20(25-17)24-16-4-2-3-15(21)10-16;1-3-2/h2,4-7,9-11,13-16H,3,8,12H2,1H3,(H,28,34)(H,30,33)(H,29,31,32);4-12,14-16H,13H2,1-3H3,(H,27,34)(H,29,33)(H,28,30,31);2-11H,21H2,1H3,(H,22,26)(H,23,24,25);3H,1-2H3/b4-2+;8-5+;;
InChIKeyGSMFHKHWCATFAS-CDGWEREASA-N
MW1361.42 g/mol
LogP13.26
Rot. Bonds18

About 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine

3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine (PubChem CID 163594756) has the molecular formula C74H74BrN17O5 and a molecular weight of 1361.42 g/mol. Its IUPAC name is 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine.

Molecular Properties

Compound Name3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine
PubChem CID163594756
Molecular FormulaC74H74BrN17O5
Molecular Weight1361.42 g/mol
Exact Mass1359.52
IUPAC Name3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine
SMILESCNC.Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(NC(=O)/C=C/CN(C)C)c3)ncc2c1.Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(NC(=O)CC/C=C/CBr)c3)ncc2c1
InChIInChI=1S/C26H24BrN5O2.C26H26N6O2.C20H17N5O.C2H7N/c1-17-11-13-28-25(34)24(17)18-9-10-22-19(14-18)16-29-26(32-22)31-21-7-5-6-20(15-21)30-23(33)8-3-2-4-12-27;1-17-11-12-27-25(34)24(17)18-9-10-22-19(14-18)16-28-26(31-22)30-21-7-4-6-20(15-21)29-23(33)8-5-13-32(2)3;1-12-7-8-22-19(26)18(12)13-5-6-17-14(9-13)11-23-20(25-17)24-16-4-2-3-15(21)10-16;1-3-2/h2,4-7,9-11,13-16H,3,8,12H2,1H3,(H,28,34)(H,30,33)(H,29,31,32);4-12,14-16H,13H2,1-3H3,(H,27,34)(H,29,33)(H,28,30,31);2-11H,21H2,1H3,(H,22,26)(H,23,24,25);3H,1-2H3/b4-2+;8-5+;;
InChIKeyGSMFHKHWCATFAS-CDGWEREASA-N
XLogP13.26
TPSA311.50 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001361.42
LogP ≤ 513.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine with MolForge

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Related Compounds

3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one
CID 162699487
N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]-N-(1,1,2,2,2-pentadeuterioethyl)prop-2-enamide
CID 162699485
4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide
CID 75055537
N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[4-(dimethylamino)but-2-enoylamino]benzamide
CID 123296452
(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]phenyl]benzamide
CID 134574448
(E)-4-(dimethylamino)-N-[4-(3-methylanilino)quinazolin-6-yl]but-2-enamide
CID 71215453
4-[4-(dimethylamino)but-2-enoylamino]-N-[3-[[5-methyl-4-(5-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 123212519
N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 162699483
N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 161303249
(E)-4-(dimethylamino)-N-[4-[1-[3-[[5-methyl-4-(5-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino]anilino]ethenyl]phenyl]but-2-enamide
CID 161302527
N-[5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methylphenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 74221538

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine?
The IUPAC name of 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine (CID 163594756) is 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine.
What is the SMILES notation for 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine?
The canonical SMILES for 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine is CNC.Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(NC(=O)/C=C/CN(C)C)c3)ncc2c1.Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(NC(=O)CC/C=C/CBr)c3)ncc2c1.
What is the InChIKey of 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine?
The InChIKey is GSMFHKHWCATFAS-CDGWEREASA-N. The full InChI is InChI=1S/C26H24BrN5O2.C26H26N6O2.C20H17N5O.C2H7N/c1-17-11-13-28-25(34)24(17)18-9-10-22-19(14-18)16-29-26(32-22)31-21-7-5-6-20(15-21)30-23(33)8-3-2-4-12-27;1-17-11-12-27-25(34)24(17)18-9-10-22-19(14-18)16-28-26(31-22)30-21-7-4-6-20(15-21)29-23(33)8-5-13-32(2)3;1-12-7-8-22-19(26)18(12)13-5-6-17-14(9-13)11-23-20(25-17)24-16-4-2-3-15(21)10-16;1-3-2/h2,4-7,9-11,13-16H,3,8,12H2,1H3,(H,28,34)(H,30,33)(H,29,31,32);4-12,14-16H,13H2,1-3H3,(H,27,34)(H,29,33)(H,28,30,31);2-11H,21H2,1H3,(H,22,26)(H,23,24,25);3H,1-2H3/b4-2+;8-5+;;.
What are the key properties of 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine?
3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine has a molecular weight of 1361.42 g/mol, XLogP of 13.26, 18 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine is sourced from PubChem (CID 163594756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).