3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one

C20H20N4O2 — CID 86779872

IUPAC3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
SMILESCNC1CCN(C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)C1
InChIInChI=1S/C20H20N4O2/c1-21-15-10-11-23(12-15)19(25)14-6-8-16(9-7-14)24-13-22-18-5-3-2-4-17(18)20(24)26/h2-9,13,15,21H,10-12H2,1H3
InChIKeyOKBYTJLCMKPNGF-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.82
Rot. Bonds3

About 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one

3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one (PubChem CID 86779872) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
PubChem CID86779872
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
SMILESCNC1CCN(C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)C1
InChIInChI=1S/C20H20N4O2/c1-21-15-10-11-23(12-15)19(25)14-6-8-16(9-7-14)24-13-22-18-5-3-2-4-17(18)20(24)26/h2-9,13,15,21H,10-12H2,1H3
InChIKeyOKBYTJLCMKPNGF-UHFFFAOYSA-N
XLogP1.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 24515334
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
CID 32626649
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24516184
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404
2-[4-[4-(4-oxoquinazolin-3-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24681800
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(benzimidazol-1-yl)phenyl]methanone
CID 40716447
isoquinolin-1-yl-[3-(methylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119413779
3-[4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 42918205
3-[4-[4-(2,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 39966533

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one?
The IUPAC name of 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one (CID 86779872) is 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one.
What is the SMILES notation for 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one?
The canonical SMILES for 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one is CNC1CCN(C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)C1.
What is the InChIKey of 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one?
The InChIKey is OKBYTJLCMKPNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-21-15-10-11-23(12-15)19(25)14-6-8-16(9-7-14)24-13-22-18-5-3-2-4-17(18)20(24)26/h2-9,13,15,21H,10-12H2,1H3.
What are the key properties of 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one?
3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one has a molecular weight of 348.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one is sourced from PubChem (CID 86779872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).