5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one

C15H18ClN3O — CID 144977733

IUPAC5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1CC1CCCN1
InChIInChI=1S/C15H18ClN3O/c1-2-13-18-12-7-3-6-11(16)14(12)15(20)19(13)9-10-5-4-8-17-10/h3,6-7,10,17H,2,4-5,8-9H2,1H3
InChIKeyOJMGJDSRFARMED-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.36
Rot. Bonds3

About 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one

5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one (PubChem CID 144977733) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
PubChem CID144977733
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1CC1CCCN1
InChIInChI=1S/C15H18ClN3O/c1-2-13-18-12-7-3-6-11(16)14(12)15(20)19(13)9-10-5-4-8-17-10/h3,6-7,10,17H,2,4-5,8-9H2,1H3
InChIKeyOJMGJDSRFARMED-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 144977687
5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 144977778
5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one
CID 144977712
2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one
CID 117264638
3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one
CID 144977630
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
7-bromo-2-(chloromethyl)-3-(piperidin-2-ylmethyl)quinazolin-4-one
CID 58574145
5-[5-chloro-2-(cyclopropylmethyl)-4-oxoquinazolin-3-yl]pentanenitrile
CID 144977672
5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
CID 129190696
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
5-(3-chloro-4-fluorophenyl)-2-ethyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 91076855
2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
CID 117263802

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one (CID 144977733) is 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one is CCc1nc2cccc(Cl)c2c(=O)n1CC1CCCN1.
What is the InChIKey of 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one?
The InChIKey is OJMGJDSRFARMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-13-18-12-7-3-6-11(16)14(12)15(20)19(13)9-10-5-4-8-17-10/h3,6-7,10,17H,2,4-5,8-9H2,1H3.
What are the key properties of 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one?
5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one has a molecular weight of 291.78 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 144977733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).