2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one

C10H12N2O — CID 84655577

IUPAC2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one
SMILESCC1CC(=O)c2ccc(N)nc2C1
InChIInChI=1S/C10H12N2O/c1-6-4-8-7(9(13)5-6)2-3-10(11)12-8/h2-3,6H,4-5H2,1H3,(H2,11,12)
InChIKeyYQLIAEORMHCZJW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.43
Rot. Bonds

About 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one

2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one (PubChem CID 84655577) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one
PubChem CID84655577
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one
SMILESCC1CC(=O)c2ccc(N)nc2C1
InChIInChI=1S/C10H12N2O/c1-6-4-8-7(9(13)5-6)2-3-10(11)12-8/h2-3,6H,4-5H2,1H3,(H2,11,12)
InChIKeyYQLIAEORMHCZJW-UHFFFAOYSA-N
XLogP1.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one (CID 84655577) is 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one is CC1CC(=O)c2ccc(N)nc2C1.
What is the InChIKey of 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is YQLIAEORMHCZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-4-8-7(9(13)5-6)2-3-10(11)12-8/h2-3,6H,4-5H2,1H3,(H2,11,12).
What are the key properties of 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one?
2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 176.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 84655577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).