4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide

C27H25N3O2 — CID 24566961

IUPAC4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C27H25N3O2/c31-25(28-18-27(16-6-7-17-27)21-8-2-1-3-9-21)20-12-14-22(15-13-20)30-19-29-24-11-5-4-10-23(24)26(30)32/h1-5,8-15,19H,6-7,16-18H2,(H,28,31)
InChIKeySGAJNYWJENZEIM-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.63
Rot. Bonds5

About 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide

4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide (PubChem CID 24566961) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
PubChem CID24566961
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C27H25N3O2/c31-25(28-18-27(16-6-7-17-27)21-8-2-1-3-9-21)20-12-14-22(15-13-20)30-19-29-24-11-5-4-10-23(24)26(30)32/h1-5,8-15,19H,6-7,16-18H2,(H,28,31)
InChIKeySGAJNYWJENZEIM-UHFFFAOYSA-N
XLogP4.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 42408512
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide
CID 91955095
4-(4-oxoquinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 24563676
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 17419592
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404
4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369967

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide (CID 24566961) is 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCCC1)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide?
The InChIKey is SGAJNYWJENZEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-25(28-18-27(16-6-7-17-27)21-8-2-1-3-9-21)20-12-14-22(15-13-20)30-19-29-24-11-5-4-10-23(24)26(30)32/h1-5,8-15,19H,6-7,16-18H2,(H,28,31).
What are the key properties of 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide?
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 24566961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).