N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide

C27H25FN4O2 — CID 50761101

IUPACN-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)Nc4ccc(F)c(C)c4)ccc3c2=O)cc1
InChIInChI=1S/C27H25FN4O2/c1-17-5-9-21(10-6-17)32-26(34)22-11-7-19(16-24(22)30-27(32)31-13-3-4-14-31)25(33)29-20-8-12-23(28)18(2)15-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,29,33)
InChIKeyMBYHYKDWLHNUIZ-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.99
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide

N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide (PubChem CID 50761101) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
PubChem CID50761101
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)Nc4ccc(F)c(C)c4)ccc3c2=O)cc1
InChIInChI=1S/C27H25FN4O2/c1-17-5-9-21(10-6-17)32-26(34)22-11-7-19(16-24(22)30-27(32)31-13-3-4-14-31)25(33)29-20-8-12-23(28)18(2)15-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,29,33)
InChIKeyMBYHYKDWLHNUIZ-UHFFFAOYSA-N
XLogP4.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761064
N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide
CID 53052412
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761136
methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 50840907
methyl 3-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate
CID 50840933
3-(4-methylphenyl)-4-oxo-N-(1-pyridin-3-ylethyl)-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052384
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 50843337
N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052371
3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one
CID 50761153
N-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132492
N-(3,4-difluorophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4588363

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide (CID 50761101) is N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide is Cc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)Nc4ccc(F)c(C)c4)ccc3c2=O)cc1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The InChIKey is MBYHYKDWLHNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-17-5-9-21(10-6-17)32-26(34)22-11-7-19(16-24(22)30-27(32)31-13-3-4-14-31)25(33)29-20-8-12-23(28)18(2)15-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,29,33).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide is sourced from PubChem (CID 50761101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).