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

C28H28N4O2 — CID 50761136

IUPAC3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)NCc4ccccc4C)ccc3c2=O)cc1
InChIInChI=1S/C28H28N4O2/c1-19-9-12-23(13-10-19)32-27(34)24-14-11-21(17-25(24)30-28(32)31-15-5-6-16-31)26(33)29-18-22-8-4-3-7-20(22)2/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3,(H,29,33)
InChIKeyJVDGYHXKMADMHB-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.53
Rot. Bonds5

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

3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide (PubChem CID 50761136) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
PubChem CID50761136
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)NCc4ccccc4C)ccc3c2=O)cc1
InChIInChI=1S/C28H28N4O2/c1-19-9-12-23(13-10-19)32-27(34)24-14-11-21(17-25(24)30-28(32)31-15-5-6-16-31)26(33)29-18-22-8-4-3-7-20(22)2/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3,(H,29,33)
InChIKeyJVDGYHXKMADMHB-UHFFFAOYSA-N
XLogP4.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052459
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052371
N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761101
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761064
3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 95063766
3-(4-methylphenyl)-4-oxo-N-(1-pyridin-3-ylethyl)-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052384
3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one
CID 50761153
(3R)-N-[(2-methylphenyl)methyl]-1-[3-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899301
N-[(2-methylphenyl)methyl]-1-[3-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 50843418
N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide
CID 53052412
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-4-oxoquinazoline-7-carboxylate
CID 53200367

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide (CID 50761136) is 3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide is Cc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)NCc4ccccc4C)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The InChIKey is JVDGYHXKMADMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-19-9-12-23(13-10-19)32-27(34)24-14-11-21(17-25(24)30-28(32)31-15-5-6-16-31)26(33)29-18-22-8-4-3-7-20(22)2/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3,(H,29,33).
What are the key properties of 3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide is sourced from PubChem (CID 50761136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).