4-(3-aminobutylamino)-1-methylquinolin-2-one

C14H19N3O — CID 81237638

IUPAC4-(3-aminobutylamino)-1-methylquinolin-2-one
SMILESCC(N)CCNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(15)7-8-16-12-9-14(18)17(2)13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8,15H2,1-2H3
InChIKeyVPPAEQCYOXARCW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds4

About 4-(3-aminobutylamino)-1-methylquinolin-2-one

4-(3-aminobutylamino)-1-methylquinolin-2-one (PubChem CID 81237638) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(3-aminobutylamino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(3-aminobutylamino)-1-methylquinolin-2-one
PubChem CID81237638
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(3-aminobutylamino)-1-methylquinolin-2-one
SMILESCC(N)CCNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(15)7-8-16-12-9-14(18)17(2)13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8,15H2,1-2H3
InChIKeyVPPAEQCYOXARCW-UHFFFAOYSA-N
XLogP1.69
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutylamino)-1-methylquinolin-2-one?
The IUPAC name of 4-(3-aminobutylamino)-1-methylquinolin-2-one (CID 81237638) is 4-(3-aminobutylamino)-1-methylquinolin-2-one.
What is the SMILES notation for 4-(3-aminobutylamino)-1-methylquinolin-2-one?
The canonical SMILES for 4-(3-aminobutylamino)-1-methylquinolin-2-one is CC(N)CCNc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 4-(3-aminobutylamino)-1-methylquinolin-2-one?
The InChIKey is VPPAEQCYOXARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(15)7-8-16-12-9-14(18)17(2)13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8,15H2,1-2H3.
What are the key properties of 4-(3-aminobutylamino)-1-methylquinolin-2-one?
4-(3-aminobutylamino)-1-methylquinolin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutylamino)-1-methylquinolin-2-one is sourced from PubChem (CID 81237638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).