N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide

C27H25BrN4O — CID 4729103

IUPACN-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(N3CCC(C(=O)Nc4ccc(Br)cc4)CC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C27H25BrN4O/c1-18-7-12-24-23(17-18)25(19-5-3-2-4-6-19)31-27(30-24)32-15-13-20(14-16-32)26(33)29-22-10-8-21(28)9-11-22/h2-12,17,20H,13-16H2,1H3,(H,29,33)
InChIKeyMJSGZRSIGLXLHE-UHFFFAOYSA-N
MW501.43 g/mol
LogP6.22
Rot. Bonds4

About N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide

N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide (PubChem CID 4729103) has the molecular formula C27H25BrN4O and a molecular weight of 501.43 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide
PubChem CID4729103
Molecular FormulaC27H25BrN4O
Molecular Weight501.43 g/mol
Exact Mass500.12
IUPAC NameN-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(N3CCC(C(=O)Nc4ccc(Br)cc4)CC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C27H25BrN4O/c1-18-7-12-24-23(17-18)25(19-5-3-2-4-6-19)31-27(30-24)32-15-13-20(14-16-32)26(33)29-22-10-8-21(28)9-11-22/h2-12,17,20H,13-16H2,1H3,(H,29,33)
InChIKeyMJSGZRSIGLXLHE-UHFFFAOYSA-N
XLogP6.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.43
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
(1S,6R)-6-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 1069557
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline
CID 16616241
6-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate
CID 4751818
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519041
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
CID 108805793
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide (CID 4729103) is N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide is Cc1ccc2nc(N3CCC(C(=O)Nc4ccc(Br)cc4)CC3)nc(-c3ccccc3)c2c1.
What is the InChIKey of N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide?
The InChIKey is MJSGZRSIGLXLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN4O/c1-18-7-12-24-23(17-18)25(19-5-3-2-4-6-19)31-27(30-24)32-15-13-20(14-16-32)26(33)29-22-10-8-21(28)9-11-22/h2-12,17,20H,13-16H2,1H3,(H,29,33).
What are the key properties of N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide?
N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide has a molecular weight of 501.43 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 4729103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).