3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide

C28H28N4O2 — CID 53052459

IUPAC3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C28H28N4O2/c1-20-9-5-6-12-23(20)18-29-26(33)22-13-14-24-25(17-22)30-28(31-15-7-8-16-31)32(27(24)34)19-21-10-3-2-4-11-21/h2-6,9-14,17H,7-8,15-16,18-19H2,1H3,(H,29,33)
InChIKeySKEWLIYKCQQVCP-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.28
Rot. Bonds6

About 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide

3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide (PubChem CID 53052459) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
PubChem CID53052459
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C28H28N4O2/c1-20-9-5-6-12-23(20)18-29-26(33)22-13-14-24-25(17-22)30-28(31-15-7-8-16-31)32(27(24)34)19-21-10-3-2-4-11-21/h2-6,9-14,17H,7-8,15-16,18-19H2,1H3,(H,29,33)
InChIKeySKEWLIYKCQQVCP-UHFFFAOYSA-N
XLogP4.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.28
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-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052429
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761136
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052371
methyl 3-[(4-methoxyphenyl)methyl]-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 50840696
3-benzyl-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxamide
CID 46284396
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
3-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide
CID 46360954
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 50815789

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The IUPAC name of 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide (CID 53052459) is 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The canonical SMILES for 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide is Cc1ccccc1CNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(N3CCCC3)nc2c1.
What is the InChIKey of 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The InChIKey is SKEWLIYKCQQVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-20-9-5-6-12-23(20)18-29-26(33)22-13-14-24-25(17-22)30-28(31-15-7-8-16-31)32(27(24)34)19-21-10-3-2-4-11-21/h2-6,9-14,17H,7-8,15-16,18-19H2,1H3,(H,29,33).
What are the key properties of 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide is sourced from PubChem (CID 53052459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).