6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine

C116H152Br4N14O17 — CID 162244286

IUPAC6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine
SMILESC.CC(C)(C)OC(=O)N1CC[C@H](N)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1ccccc1Br.COc1ccccc1C[C@H]1CCN(C(=O)OC(C)(C)C)C1.COc1ccccc1C[C@H]1CCNC1.COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)C1.COc1ccccc1N[C@@H]1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)C1.O=c1[nH]c(C2CC2)nc2ccc(Br)cc12
InChIInChI=1S/C27H31BrN4O3.C22H23BrN4O.C17H25NO3.C12H17NO.C11H9BrN2O.C10H18O5.C9H18N2O2.C7H7BrO.CH4/c1-27(2,3)35-26(33)32(22-7-5-6-8-23(22)34-4)19-13-14-31(16-19)25-20-15-18(28)11-12-21(20)29-24(30-25)17-9-10-17;1-28-20-5-3-2-4-19(20)24-16-10-11-27(13-16)22-17-12-15(23)8-9-18(17)25-21(26-22)14-6-7-14;1-17(2,3)21-16(19)18-10-9-13(12-18)11-14-7-5-6-8-15(14)20-4;1-14-12-5-3-2-4-11(12)8-10-6-7-13-9-10;12-7-3-4-9-8(5-7)11(15)14-10(13-9)6-1-2-6;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-9-7-5-3-2-4-6(7)8;/h5-8,11-12,15,17,19H,9-10,13-14,16H2,1-4H3;2-5,8-9,12,14,16,24H,6-7,10-11,13H2,1H3;5-8,13H,9-12H2,1-4H3;2-5,10,13H,6-9H2,1H3;3-6H,1-2H2,(H,13,14,15);1-6H3;7H,4-6,10H2,1-3H3;2-5H,1H3;1H4/t19-;16-;13-;10-;;;7-;;/m1111..0../s1
InChIKeyZXCTYZNNOVRAER-SCYJZKCSSA-N
MW2334.19 g/mol
LogP26.09
Rot. Bonds18

About 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine

6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine (PubChem CID 162244286) has the molecular formula C116H152Br4N14O17 and a molecular weight of 2334.19 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine
PubChem CID162244286
Molecular FormulaC116H152Br4N14O17
Molecular Weight2334.19 g/mol
Exact Mass2328.82
IUPAC Name6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine
SMILESC.CC(C)(C)OC(=O)N1CC[C@H](N)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1ccccc1Br.COc1ccccc1C[C@H]1CCN(C(=O)OC(C)(C)C)C1.COc1ccccc1C[C@H]1CCNC1.COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)C1.COc1ccccc1N[C@@H]1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)C1.O=c1[nH]c(C2CC2)nc2ccc(Br)cc12
InChIInChI=1S/C27H31BrN4O3.C22H23BrN4O.C17H25NO3.C12H17NO.C11H9BrN2O.C10H18O5.C9H18N2O2.C7H7BrO.CH4/c1-27(2,3)35-26(33)32(22-7-5-6-8-23(22)34-4)19-13-14-31(16-19)25-20-15-18(28)11-12-21(20)29-24(30-25)17-9-10-17;1-28-20-5-3-2-4-19(20)24-16-10-11-27(13-16)22-17-12-15(23)8-9-18(17)25-21(26-22)14-6-7-14;1-17(2,3)21-16(19)18-10-9-13(12-18)11-14-7-5-6-8-15(14)20-4;1-14-12-5-3-2-4-11(12)8-10-6-7-13-9-10;12-7-3-4-9-8(5-7)11(15)14-10(13-9)6-1-2-6;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-9-7-5-3-2-4-6(7)8;/h5-8,11-12,15,17,19H,9-10,13-14,16H2,1-4H3;2-5,8-9,12,14,16,24H,6-7,10-11,13H2,1H3;5-8,13H,9-12H2,1-4H3;2-5,10,13H,6-9H2,1H3;3-6H,1-2H2,(H,13,14,15);1-6H3;7H,4-6,10H2,1-3H3;2-5H,1H3;1H4/t19-;16-;13-;10-;;;7-;;/m1111..0../s1
InChIKeyZXCTYZNNOVRAER-SCYJZKCSSA-N
XLogP26.09
TPSA350.47 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.19
LogP ≤ 526.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine with MolForge

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Related Compounds

1-bromo-2-methoxybenzene;tert-butyl N-cyclopentylcarbamate;tert-butyl N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate;2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-cyclopropyl-4-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-6-yl]-methylamino]ethanol;1-(2-methoxyphenyl)pyrrolidin-3-amine
CID 157648989
acetic acid;6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl N-[(3R)-1-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[[2-cyclopropyl-4-[(3R)-3-(2-methoxyanilino)pyrrolidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine;palladium
CID 158472288
acetic acid;6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl N-[(3R)-1-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine;palladium
CID 158948777

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine (CID 162244286) is 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine is C.CC(C)(C)OC(=O)N1CC[C@H](N)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1ccccc1Br.COc1ccccc1C[C@H]1CCN(C(=O)OC(C)(C)C)C1.COc1ccccc1C[C@H]1CCNC1.COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)C1.COc1ccccc1N[C@@H]1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)C1.O=c1[nH]c(C2CC2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is ZXCTYZNNOVRAER-SCYJZKCSSA-N. The full InChI is InChI=1S/C27H31BrN4O3.C22H23BrN4O.C17H25NO3.C12H17NO.C11H9BrN2O.C10H18O5.C9H18N2O2.C7H7BrO.CH4/c1-27(2,3)35-26(33)32(22-7-5-6-8-23(22)34-4)19-13-14-31(16-19)25-20-15-18(28)11-12-21(20)29-24(30-25)17-9-10-17;1-28-20-5-3-2-4-19(20)24-16-10-11-27(13-16)22-17-12-15(23)8-9-18(17)25-21(26-22)14-6-7-14;1-17(2,3)21-16(19)18-10-9-13(12-18)11-14-7-5-6-8-15(14)20-4;1-14-12-5-3-2-4-11(12)8-10-6-7-13-9-10;12-7-3-4-9-8(5-7)11(15)14-10(13-9)6-1-2-6;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-9-7-5-3-2-4-6(7)8;/h5-8,11-12,15,17,19H,9-10,13-14,16H2,1-4H3;2-5,8-9,12,14,16,24H,6-7,10-11,13H2,1H3;5-8,13H,9-12H2,1-4H3;2-5,10,13H,6-9H2,1H3;3-6H,1-2H2,(H,13,14,15);1-6H3;7H,4-6,10H2,1-3H3;2-5H,1H3;1H4/t19-;16-;13-;10-;;;7-;;/m1111..0../s1.
What are the key properties of 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine?
6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 2334.19 g/mol, XLogP of 26.09, 18 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-3H-quinazolin-4-one;(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)-N-(2-methoxyphenyl)pyrrolidin-3-amine;1-bromo-2-methoxybenzene;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl N-[(3R)-1-(6-bromo-2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)carbamate;tert-butyl (3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;(3S)-3-[(2-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 162244286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).