3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one

C29H30N6O2 — CID 50761153

IUPAC3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one
SMILESCc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3c2=O)cc1
InChIInChI=1S/C29H30N6O2/c1-21-7-10-23(11-8-21)35-28(37)24-12-9-22(20-25(24)31-29(35)34-14-4-5-15-34)27(36)33-18-16-32(17-19-33)26-6-2-3-13-30-26/h2-3,6-13,20H,4-5,14-19H2,1H3
InChIKeyRKCVLIVYXFXJPN-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.65
Rot. Bonds4

About 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one

3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one (PubChem CID 50761153) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one
PubChem CID50761153
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one
SMILESCc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3c2=O)cc1
InChIInChI=1S/C29H30N6O2/c1-21-7-10-23(11-8-21)35-28(37)24-12-9-22(20-25(24)31-29(35)34-14-4-5-15-34)27(36)33-18-16-32(17-19-33)26-6-2-3-13-30-26/h2-3,6-13,20H,4-5,14-19H2,1H3
InChIKeyRKCVLIVYXFXJPN-UHFFFAOYSA-N
XLogP3.65
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
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
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-4-oxoquinazoline-7-carboxylate
CID 53200367
2-(2,5-dimethylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
CID 112790786
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-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one
CID 32646472
methyl 3-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate
CID 50840933
(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 141181908

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one?
The IUPAC name of 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one (CID 50761153) is 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one is Cc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one?
The InChIKey is RKCVLIVYXFXJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-21-7-10-23(11-8-21)35-28(37)24-12-9-22(20-25(24)31-29(35)34-14-4-5-15-34)27(36)33-18-16-32(17-19-33)26-6-2-3-13-30-26/h2-3,6-13,20H,4-5,14-19H2,1H3.
What are the key properties of 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one?
3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one has a molecular weight of 494.60 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one is sourced from PubChem (CID 50761153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).