6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one

C15H19N3O — CID 142478285

IUPAC6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one
SMILESCC[C@@H]1CC1Nc1cc(=O)n(C)c2ccc(N)cc12
InChIInChI=1S/C15H19N3O/c1-3-9-6-12(9)17-13-8-15(19)18(2)14-5-4-10(16)7-11(13)14/h4-5,7-9,12,17H,3,6,16H2,1-2H3/t9-,12?/m1/s1
InChIKeyQFIRKVJFAIOCIM-PKEIRNPWSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds3

About 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one

6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one (PubChem CID 142478285) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one
PubChem CID142478285
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one
SMILESCC[C@@H]1CC1Nc1cc(=O)n(C)c2ccc(N)cc12
InChIInChI=1S/C15H19N3O/c1-3-9-6-12(9)17-13-8-15(19)18(2)14-5-4-10(16)7-11(13)14/h4-5,7-9,12,17H,3,6,16H2,1-2H3/t9-,12?/m1/s1
InChIKeyQFIRKVJFAIOCIM-PKEIRNPWSA-N
XLogP2.33
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one?
The IUPAC name of 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one (CID 142478285) is 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one.
What is the SMILES notation for 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one?
The canonical SMILES for 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one is CC[C@@H]1CC1Nc1cc(=O)n(C)c2ccc(N)cc12.
What is the InChIKey of 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one?
The InChIKey is QFIRKVJFAIOCIM-PKEIRNPWSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-9-6-12(9)17-13-8-15(19)18(2)14-5-4-10(16)7-11(13)14/h4-5,7-9,12,17H,3,6,16H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one?
6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one is sourced from PubChem (CID 142478285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).