3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide

C26H24N4O2 — CID 53052429

IUPAC3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(=O)n(Cc3ccccc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C26H24N4O2/c31-24(27-21-11-5-2-6-12-21)20-13-14-22-23(17-20)28-26(29-15-7-8-16-29)30(25(22)32)18-19-9-3-1-4-10-19/h1-6,9-14,17H,7-8,15-16,18H2,(H,27,31)
InChIKeyDGTMQJKMLULMQZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.30
Rot. Bonds5

About 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide

3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide (PubChem CID 53052429) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
PubChem CID53052429
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(=O)n(Cc3ccccc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C26H24N4O2/c31-24(27-21-11-5-2-6-12-21)20-13-14-22-23(17-20)28-26(29-15-7-8-16-29)30(25(22)32)18-19-9-3-1-4-10-19/h1-6,9-14,17H,7-8,15-16,18H2,(H,27,31)
InChIKeyDGTMQJKMLULMQZ-UHFFFAOYSA-N
XLogP4.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052428
3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052459
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide
CID 53052412
2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide
CID 53052524
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
methyl 3-[(4-methoxyphenyl)methyl]-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 50840696
N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide
CID 50844325
3-benzyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenacylsulfanylquinazoline-7-carboxamide
CID 92864900
12-oxo-N-(4-phenylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 7598609
methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200341

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide (CID 53052429) is 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide is O=C(Nc1ccccc1)c1ccc2c(=O)n(Cc3ccccc3)c(N3CCCC3)nc2c1.
What is the InChIKey of 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The InChIKey is DGTMQJKMLULMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-24(27-21-11-5-2-6-12-21)20-13-14-22-23(17-20)28-26(29-15-7-8-16-29)30(25(22)32)18-19-9-3-1-4-10-19/h1-6,9-14,17H,7-8,15-16,18H2,(H,27,31).
What are the key properties of 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide is sourced from PubChem (CID 53052429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).