8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one

C14H16N2O — CID 14627344

IUPAC8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one
SMILESCc1cccc2c(N3CCCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H16N2O/c1-10-5-4-6-11-12(16-7-2-3-8-16)9-13(17)15-14(10)11/h4-6,9H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyBZXUTTCPMNDAFM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.44
Rot. Bonds1

About 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one

8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one (PubChem CID 14627344) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one
PubChem CID14627344
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one
SMILESCc1cccc2c(N3CCCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H16N2O/c1-10-5-4-6-11-12(16-7-2-3-8-16)9-13(17)15-14(10)11/h4-6,9H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyBZXUTTCPMNDAFM-UHFFFAOYSA-N
XLogP2.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one?
The IUPAC name of 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one (CID 14627344) is 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one is Cc1cccc2c(N3CCCC3)cc(=O)[nH]c12.
What is the InChIKey of 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one?
The InChIKey is BZXUTTCPMNDAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-5-4-6-11-12(16-7-2-3-8-16)9-13(17)15-14(10)11/h4-6,9H,2-3,7-8H2,1H3,(H,15,17).
What are the key properties of 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one?
8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one is sourced from PubChem (CID 14627344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).