N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide

C25H27BrN4O — CID 11213767

IUPACN-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1C1CCCC1)C1CCCC1
InChIInChI=1S/C25H27BrN4O/c26-18-10-5-11-19(12-18)29-24-21-14-23(30-25(31)17-8-3-4-9-17)20(16-6-1-2-7-16)13-22(21)27-15-28-24/h5,10-17H,1-4,6-9H2,(H,30,31)(H,27,28,29)
InChIKeyCIJBANRWXTXQCO-UHFFFAOYSA-N
MW479.42 g/mol
LogP6.92
Rot. Bonds5

About N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide

N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide (PubChem CID 11213767) has the molecular formula C25H27BrN4O and a molecular weight of 479.42 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide
PubChem CID11213767
Molecular FormulaC25H27BrN4O
Molecular Weight479.42 g/mol
Exact Mass478.14
IUPAC NameN-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1C1CCCC1)C1CCCC1
InChIInChI=1S/C25H27BrN4O/c26-18-10-5-11-19(12-18)29-24-21-14-23(30-25(31)17-8-3-4-9-17)20(16-6-1-2-7-16)13-22(21)27-15-28-24/h5,10-17H,1-4,6-9H2,(H,30,31)(H,27,28,29)
InChIKeyCIJBANRWXTXQCO-UHFFFAOYSA-N
XLogP6.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
CID 143862897
(E)-4-bromo-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
CID 22269894
N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide
CID 59382779
(E)-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
CID 11691761
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
(Z)-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]-2-fluoro-4-piperidin-1-ylbut-2-enamide
CID 85471151
N-[4-(3-bromoanilino)-7-(1-piperidin-4-ylethoxy)quinazolin-6-yl]-2-fluoroprop-2-enamide
CID 90282676
cyclohexyl 2-[4-[[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]amino]but-2-enoyl-methylamino]acetate
CID 70204035
N-[4-(3-bromoanilino)quinazolin-7-yl]-2-methylprop-2-enamide
CID 18176145
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-nitrobenzamide
CID 71761875
N-[4-(3-bromoanilino)-7-[3-(1-methylpiperidin-4-yl)propoxy]quinazolin-6-yl]-3-phenylprop-2-enamide
CID 68704550
methyl 1-[3-[[(E)-4-[[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]amino]-4-oxobut-2-enoyl]amino]propyl]piperidine-2-carboxylate
CID 22270129

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide (CID 11213767) is N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide is O=C(Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1C1CCCC1)C1CCCC1.
What is the InChIKey of N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide?
The InChIKey is CIJBANRWXTXQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN4O/c26-18-10-5-11-19(12-18)29-24-21-14-23(30-25(31)17-8-3-4-9-17)20(16-6-1-2-7-16)13-22(21)27-15-28-24/h5,10-17H,1-4,6-9H2,(H,30,31)(H,27,28,29).
What are the key properties of N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide?
N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide has a molecular weight of 479.42 g/mol, XLogP of 6.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide is sourced from PubChem (CID 11213767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).