N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide

C19H17N3O2 — CID 154800942

IUPACN-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c(=O)c2c1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H17N3O2/c23-17-15-11-14(7-8-16(15)20-12-21-17)22-18(24)19(9-4-10-19)13-5-2-1-3-6-13/h1-3,5-8,11-12H,4,9-10H2,(H,22,24)(H,20,21,23)
InChIKeyUIIDKEWQNOUBCY-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.98
Rot. Bonds3

About N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide

N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 154800942) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide
PubChem CID154800942
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c(=O)c2c1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H17N3O2/c23-17-15-11-14(7-8-16(15)20-12-21-17)22-18(24)19(9-4-10-19)13-5-2-1-3-6-13/h1-3,5-8,11-12H,4,9-10H2,(H,22,24)(H,20,21,23)
InChIKeyUIIDKEWQNOUBCY-UHFFFAOYSA-N
XLogP2.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid
CID 136648433
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CID 174817735
1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
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N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
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2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
CID 136827778
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136756966
N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide
CID 134044735
N-(3H-benzimidazol-5-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438956

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide (CID 154800942) is N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide is O=C(Nc1ccc2nc[nH]c(=O)c2c1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is UIIDKEWQNOUBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-17-15-11-14(7-8-16(15)20-12-21-17)22-18(24)19(9-4-10-19)13-5-2-1-3-6-13/h1-3,5-8,11-12H,4,9-10H2,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide?
N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 154800942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).