3-methyl-8-(propylamino)-1H-quinolin-2-one

C13H16N2O — CID 122180530

IUPAC3-methyl-8-(propylamino)-1H-quinolin-2-one
SMILESCCCNc1cccc2cc(C)c(=O)[nH]c12
InChIInChI=1S/C13H16N2O/c1-3-7-14-11-6-4-5-10-8-9(2)13(16)15-12(10)11/h4-6,8,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyBUFBVKZLQYYFRK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.66
Rot. Bonds3

About 3-methyl-8-(propylamino)-1H-quinolin-2-one

3-methyl-8-(propylamino)-1H-quinolin-2-one (PubChem CID 122180530) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-8-(propylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-8-(propylamino)-1H-quinolin-2-one
PubChem CID122180530
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-methyl-8-(propylamino)-1H-quinolin-2-one
SMILESCCCNc1cccc2cc(C)c(=O)[nH]c12
InChIInChI=1S/C13H16N2O/c1-3-7-14-11-6-4-5-10-8-9(2)13(16)15-12(10)11/h4-6,8,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyBUFBVKZLQYYFRK-UHFFFAOYSA-N
XLogP2.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(propylamino)-1H-quinolin-2-one?
The IUPAC name of 3-methyl-8-(propylamino)-1H-quinolin-2-one (CID 122180530) is 3-methyl-8-(propylamino)-1H-quinolin-2-one.
What is the SMILES notation for 3-methyl-8-(propylamino)-1H-quinolin-2-one?
The canonical SMILES for 3-methyl-8-(propylamino)-1H-quinolin-2-one is CCCNc1cccc2cc(C)c(=O)[nH]c12.
What is the InChIKey of 3-methyl-8-(propylamino)-1H-quinolin-2-one?
The InChIKey is BUFBVKZLQYYFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-7-14-11-6-4-5-10-8-9(2)13(16)15-12(10)11/h4-6,8,14H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-8-(propylamino)-1H-quinolin-2-one?
3-methyl-8-(propylamino)-1H-quinolin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(propylamino)-1H-quinolin-2-one is sourced from PubChem (CID 122180530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).