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

C27H27N5O2 — CID 95063766

IUPAC3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)N[C@@H](C)c4cccnc4)ccc3c2=O)cc1
InChIInChI=1S/C27H27N5O2/c1-18-7-10-22(11-8-18)32-26(34)23-12-9-20(16-24(23)30-27(32)31-14-3-4-15-31)25(33)29-19(2)21-6-5-13-28-17-21/h5-13,16-17,19H,3-4,14-15H2,1-2H3,(H,29,33)/t19-/m0/s1
InChIKeyWRSKDIDIJINOQJ-IBGZPJMESA-N
MW453.55 g/mol
LogP4.18
Rot. Bonds5

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

3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide (PubChem CID 95063766) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide
PubChem CID95063766
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)N[C@@H](C)c4cccnc4)ccc3c2=O)cc1
InChIInChI=1S/C27H27N5O2/c1-18-7-10-22(11-8-18)32-26(34)23-12-9-20(16-24(23)30-27(32)31-14-3-4-15-31)25(33)29-19(2)21-6-5-13-28-17-21/h5-13,16-17,19H,3-4,14-15H2,1-2H3,(H,29,33)/t19-/m0/s1
InChIKeyWRSKDIDIJINOQJ-IBGZPJMESA-N
XLogP4.18
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide with MolForge

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Related Compounds

3-(4-methylphenyl)-4-oxo-N-(1-pyridin-3-ylethyl)-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052384
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
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)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one
CID 50761153
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 95096725
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
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162991
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
1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide
CID 92899231

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide (CID 95063766) is 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide is Cc1ccc(-n2c(N3CCCC3)nc3cc(C(=O)N[C@@H](C)c4cccnc4)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The InChIKey is WRSKDIDIJINOQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C27H27N5O2/c1-18-7-10-22(11-8-18)32-26(34)23-12-9-20(16-24(23)30-27(32)31-14-3-4-15-31)25(33)29-19(2)21-6-5-13-28-17-21/h5-13,16-17,19H,3-4,14-15H2,1-2H3,(H,29,33)/t19-/m0/s1.
What are the key properties of 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide is sourced from PubChem (CID 95063766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).