2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one

C18H17ClN4O — CID 126949327

IUPAC2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
SMILESCn1c(C2CCCN2c2ccncc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C18H17ClN4O/c1-22-17(21-14-6-3-2-5-12(14)18(22)24)16-7-4-10-23(16)15-8-9-20-11-13(15)19/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3
InChIKeyUNJHBEXJTQLDKE-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.32
Rot. Bonds2

About 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one

2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one (PubChem CID 126949327) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
PubChem CID126949327
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
SMILESCn1c(C2CCCN2c2ccncc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C18H17ClN4O/c1-22-17(21-14-6-3-2-5-12(14)18(22)24)16-7-4-10-23(16)15-8-9-20-11-13(15)19/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3
InChIKeyUNJHBEXJTQLDKE-UHFFFAOYSA-N
XLogP3.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-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

3-methyl-2-[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949401
3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949394
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949331
3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949567
3-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126949321
3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126949306
2-[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949621
3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
CID 126949917
3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949440
3-methyl-2-[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949438

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one (CID 126949327) is 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one is Cn1c(C2CCCN2c2ccncc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The InChIKey is UNJHBEXJTQLDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-22-17(21-14-6-3-2-5-12(14)18(22)24)16-7-4-10-23(16)15-8-9-20-11-13(15)19/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3.
What are the key properties of 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one?
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one has a molecular weight of 340.81 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126949327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).