5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one

C15H18N2O — CID 84630290

IUPAC5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(C3CCCN3)c(=O)[nH]c2c1
InChIInChI=1S/C15H18N2O/c1-9-6-10(2)11-8-12(13-4-3-5-16-13)15(18)17-14(11)7-9/h6-8,13,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyDACGTUUNSYFBEX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.57
Rot. Bonds1

About 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one

5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one (PubChem CID 84630290) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
PubChem CID84630290
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(C3CCCN3)c(=O)[nH]c2c1
InChIInChI=1S/C15H18N2O/c1-9-6-10(2)11-8-12(13-4-3-5-16-13)15(18)17-14(11)7-9/h6-8,13,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyDACGTUUNSYFBEX-UHFFFAOYSA-N
XLogP2.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84621897
3,4,6-trimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84625644
7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84633281
6-methoxy-8-methyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84637119
3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole
CID 55293321
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
5-methyl-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274526
3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
CID 84642527
6,8-dimethyl-1H-1-benzazepine-2,3-dione
CID 23354339
2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 56838322
5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one
CID 21135871
2-methyl-5-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 131137914

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one?
The IUPAC name of 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one (CID 84630290) is 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one?
The canonical SMILES for 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one is Cc1cc(C)c2cc(C3CCCN3)c(=O)[nH]c2c1.
What is the InChIKey of 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one?
The InChIKey is DACGTUUNSYFBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-6-10(2)11-8-12(13-4-3-5-16-13)15(18)17-14(11)7-9/h6-8,13,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one?
5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 84630290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).