2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine

C97H98Br6ClN19O11 — CID 158375939

IUPAC2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine
SMILESBrc1ccc2c(NCCN3CCOCC3)nc(-c3ccccc3)nc2c1.C.C.C.CN1CCN(c2ccc3c(NCCN4CCOCC4)nc(-c4ccccc4)nc3c2)CC1.Clc1nc(-c2ccccc2)nc2cc(Br)ccc12.NC(=O)c1ccc(Br)cc1N.NC(=O)c1ccc(Br)cc1[N+](=O)[O-].O=C(O)c1ccc(Br)cc1[N+](=O)[O-].O=c1[nH]c(-c2ccccc2)nc2cc(Br)ccc12
InChIInChI=1S/C25H32N6O.C20H21BrN4O.C14H8BrClN2.C14H9BrN2O.C7H5BrN2O3.C7H7BrN2O.C7H4BrNO4.3CH4/c1-29-11-13-31(14-12-29)21-7-8-22-23(19-21)27-24(20-5-3-2-4-6-20)28-25(22)26-9-10-30-15-17-32-18-16-30;21-16-6-7-17-18(14-16)23-19(15-4-2-1-3-5-15)24-20(17)22-8-9-25-10-12-26-13-11-25;15-10-6-7-11-12(8-10)17-14(18-13(11)16)9-4-2-1-3-5-9;15-10-6-7-11-12(8-10)16-13(17-14(11)18)9-4-2-1-3-5-9;8-4-1-2-5(7(9)11)6(3-4)10(12)13;8-4-1-2-5(7(10)11)6(9)3-4;8-4-1-2-5(7(10)11)6(3-4)9(12)13;;;/h2-8,19H,9-18H2,1H3,(H,26,27,28);1-7,14H,8-13H2,(H,22,23,24);1-8H;1-8H,(H,16,17,18);1-3H,(H2,9,11);1-3H,9H2,(H2,10,11);1-3H,(H,10,11);3*1H4
InChIKeyGVEQMHSXLCFVHW-UHFFFAOYSA-N
MW2220.85 g/mol
LogP21.21
Rot. Bonds18

About 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine

2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine (PubChem CID 158375939) has the molecular formula C97H98Br6ClN19O11 and a molecular weight of 2220.85 g/mol. Its IUPAC name is 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine
PubChem CID158375939
Molecular FormulaC97H98Br6ClN19O11
Molecular Weight2220.85 g/mol
Exact Mass2213.25
IUPAC Name2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine
SMILESBrc1ccc2c(NCCN3CCOCC3)nc(-c3ccccc3)nc2c1.C.C.C.CN1CCN(c2ccc3c(NCCN4CCOCC4)nc(-c4ccccc4)nc3c2)CC1.Clc1nc(-c2ccccc2)nc2cc(Br)ccc12.NC(=O)c1ccc(Br)cc1N.NC(=O)c1ccc(Br)cc1[N+](=O)[O-].O=C(O)c1ccc(Br)cc1[N+](=O)[O-].O=c1[nH]c(-c2ccccc2)nc2cc(Br)ccc12
InChIInChI=1S/C25H32N6O.C20H21BrN4O.C14H8BrClN2.C14H9BrN2O.C7H5BrN2O3.C7H7BrN2O.C7H4BrNO4.3CH4/c1-29-11-13-31(14-12-29)21-7-8-22-23(19-21)27-24(20-5-3-2-4-6-20)28-25(22)26-9-10-30-15-17-32-18-16-30;21-16-6-7-17-18(14-16)23-19(15-4-2-1-3-5-15)24-20(17)22-8-9-25-10-12-26-13-11-25;15-10-6-7-11-12(8-10)17-14(18-13(11)16)9-4-2-1-3-5-9;15-10-6-7-11-12(8-10)16-13(17-14(11)18)9-4-2-1-3-5-9;8-4-1-2-5(7(9)11)6(3-4)10(12)13;8-4-1-2-5(7(10)11)6(9)3-4;8-4-1-2-5(7(10)11)6(3-4)9(12)13;;;/h2-8,19H,9-18H2,1H3,(H,26,27,28);1-7,14H,8-13H2,(H,22,23,24);1-8H;1-8H,(H,16,17,18);1-3H,(H2,9,11);1-3H,9H2,(H2,10,11);1-3H,(H,10,11);3*1H4
InChIKeyGVEQMHSXLCFVHW-UHFFFAOYSA-N
XLogP21.21
TPSA414.35 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002220.85
LogP ≤ 521.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine with MolForge

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Related Compounds

2-amino-4-bromo-5-chlorobenzoic acid;7-bromo-6-chloro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N,N-dimethylaniline;urea
CID 158466368
2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine
CID 160517088

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine?
The IUPAC name of 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine (CID 158375939) is 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine is Brc1ccc2c(NCCN3CCOCC3)nc(-c3ccccc3)nc2c1.C.C.C.CN1CCN(c2ccc3c(NCCN4CCOCC4)nc(-c4ccccc4)nc3c2)CC1.Clc1nc(-c2ccccc2)nc2cc(Br)ccc12.NC(=O)c1ccc(Br)cc1N.NC(=O)c1ccc(Br)cc1[N+](=O)[O-].O=C(O)c1ccc(Br)cc1[N+](=O)[O-].O=c1[nH]c(-c2ccccc2)nc2cc(Br)ccc12.
What is the InChIKey of 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine?
The InChIKey is GVEQMHSXLCFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O.C20H21BrN4O.C14H8BrClN2.C14H9BrN2O.C7H5BrN2O3.C7H7BrN2O.C7H4BrNO4.3CH4/c1-29-11-13-31(14-12-29)21-7-8-22-23(19-21)27-24(20-5-3-2-4-6-20)28-25(22)26-9-10-30-15-17-32-18-16-30;21-16-6-7-17-18(14-16)23-19(15-4-2-1-3-5-15)24-20(17)22-8-9-25-10-12-26-13-11-25;15-10-6-7-11-12(8-10)17-14(18-13(11)16)9-4-2-1-3-5-9;15-10-6-7-11-12(8-10)16-13(17-14(11)18)9-4-2-1-3-5-9;8-4-1-2-5(7(9)11)6(3-4)10(12)13;8-4-1-2-5(7(10)11)6(9)3-4;8-4-1-2-5(7(10)11)6(3-4)9(12)13;;;/h2-8,19H,9-18H2,1H3,(H,26,27,28);1-7,14H,8-13H2,(H,22,23,24);1-8H;1-8H,(H,16,17,18);1-3H,(H2,9,11);1-3H,9H2,(H2,10,11);1-3H,(H,10,11);3*1H4.
What are the key properties of 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine?
2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine has a molecular weight of 2220.85 g/mol, XLogP of 21.21, 18 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromobenzamide;7-bromo-4-chloro-2-phenylquinazoline;7-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine;4-bromo-2-nitrobenzamide;4-bromo-2-nitrobenzoic acid;7-bromo-2-phenyl-3H-quinazolin-4-one;methane;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 158375939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).