6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one

C13H15N3O — CID 142478419

IUPAC6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CC2)c2cc(N)ccc21
InChIInChI=1S/C13H15N3O/c1-16-12-5-2-8(14)6-10(12)11(7-13(16)17)15-9-3-4-9/h2,5-7,9,15H,3-4,14H2,1H3
InChIKeyPMFSSWOHBMZLDJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.70
Rot. Bonds2

About 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one

6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one (PubChem CID 142478419) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
PubChem CID142478419
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CC2)c2cc(N)ccc21
InChIInChI=1S/C13H15N3O/c1-16-12-5-2-8(14)6-10(12)11(7-13(16)17)15-9-3-4-9/h2,5-7,9,15H,3-4,14H2,1H3
InChIKeyPMFSSWOHBMZLDJ-UHFFFAOYSA-N
XLogP1.70
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one
CID 142478285
(2R)-2-[(6-amino-1-methyl-2-oxoquinolin-4-yl)amino]-N-cyclopentylpropanamide
CID 156571031
6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one
CID 142478323
6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one
CID 142478226
6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one
CID 164602506
1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one
CID 20817724
6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one
CID 142478286
4-[(1,1-dioxothian-3-yl)amino]-1-methylquinolin-2-one
CID 81244475
4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one
CID 81237084
2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
CID 142478325
1-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]quinolin-2-one
CID 106258245
4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one
CID 81244227

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one?
The IUPAC name of 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one (CID 142478419) is 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one.
What is the SMILES notation for 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one?
The canonical SMILES for 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one is Cn1c(=O)cc(NC2CC2)c2cc(N)ccc21.
What is the InChIKey of 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one?
The InChIKey is PMFSSWOHBMZLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-12-5-2-8(14)6-10(12)11(7-13(16)17)15-9-3-4-9/h2,5-7,9,15H,3-4,14H2,1H3.
What are the key properties of 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one?
6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one is sourced from PubChem (CID 142478419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).