7-amino-1-methylquinolin-4-one

C10H10N2O — CID 10329797

IUPAC7-amino-1-methylquinolin-4-one
SMILESCn1ccc(=O)c2ccc(N)cc21
InChIInChI=1S/C10H10N2O/c1-12-5-4-10(13)8-3-2-7(11)6-9(8)12/h2-6H,11H2,1H3
InChIKeySWLAXXQPQGWRHK-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.12
Rot. Bonds

About 7-amino-1-methylquinolin-4-one

7-amino-1-methylquinolin-4-one (PubChem CID 10329797) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 7-amino-1-methylquinolin-4-one.

Molecular Properties

Compound Name7-amino-1-methylquinolin-4-one
PubChem CID10329797
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name7-amino-1-methylquinolin-4-one
SMILESCn1ccc(=O)c2ccc(N)cc21
InChIInChI=1S/C10H10N2O/c1-12-5-4-10(13)8-3-2-7(11)6-9(8)12/h2-6H,11H2,1H3
InChIKeySWLAXXQPQGWRHK-UHFFFAOYSA-N
XLogP1.12
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-oxoquinoline-7-sulfonyl chloride
CID 102028826
6-bromo-1-methylquinolin-4-one
CID 1377385
1,6-dimethylquinolin-4-one;ethane
CID 144950018
3-(fluoromethyl)-1-methylindol-6-amine
CID 84656439
4-ethylsulfonyl-1-methylindol-6-amine
CID 54857290
6-bromo-7-methoxy-1-methylquinolin-4-one
CID 170985968
(6-amino-1-methylindol-3-yl)methanethiol
CID 117178647
6-amino-1-methylindole-3-carbonitrile
CID 59335124
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
7-amino-2,4-dimethylisoquinolin-1-one
CID 115063555
6-amino-1-methylquinazolin-4-one
CID 130118535
3-(ethylsulfanylmethyl)-1-methylindol-6-amine
CID 117178607

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-methylquinolin-4-one?
The IUPAC name of 7-amino-1-methylquinolin-4-one (CID 10329797) is 7-amino-1-methylquinolin-4-one.
What is the SMILES notation for 7-amino-1-methylquinolin-4-one?
The canonical SMILES for 7-amino-1-methylquinolin-4-one is Cn1ccc(=O)c2ccc(N)cc21.
What is the InChIKey of 7-amino-1-methylquinolin-4-one?
The InChIKey is SWLAXXQPQGWRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-12-5-4-10(13)8-3-2-7(11)6-9(8)12/h2-6H,11H2,1H3.
What are the key properties of 7-amino-1-methylquinolin-4-one?
7-amino-1-methylquinolin-4-one has a molecular weight of 174.20 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-methylquinolin-4-one is sourced from PubChem (CID 10329797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).