2-amino-3-butyl-6-methoxy-1H-quinolin-4-one

C14H18N2O2 — CID 46708037

IUPAC2-amino-3-butyl-6-methoxy-1H-quinolin-4-one
SMILESCCCCc1c(N)[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C14H18N2O2/c1-3-4-5-10-13(17)11-8-9(18-2)6-7-12(11)16-14(10)15/h6-8H,3-5H2,1-2H3,(H3,15,16,17)
InChIKeyZQCNGULZAKSJKR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one

2-amino-3-butyl-6-methoxy-1H-quinolin-4-one (PubChem CID 46708037) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-amino-3-butyl-6-methoxy-1H-quinolin-4-one
PubChem CID46708037
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-amino-3-butyl-6-methoxy-1H-quinolin-4-one
SMILESCCCCc1c(N)[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C14H18N2O2/c1-3-4-5-10-13(17)11-8-9(18-2)6-7-12(11)16-14(10)15/h6-8H,3-5H2,1-2H3,(H3,15,16,17)
InChIKeyZQCNGULZAKSJKR-UHFFFAOYSA-N
XLogP2.46
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-butyl-1H-quinolin-4-one
CID 46708036
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione
CID 2056968
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
CID 790258
6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile
CID 110272546
6-butoxy-2-methyl-4-oxo-1H-quinoline-3-carbonitrile
CID 82245502
2-octoxy-10H-acridin-9-one
CID 611041
6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 4532113
(6-butoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 3433637
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one?
The IUPAC name of 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one (CID 46708037) is 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one?
The canonical SMILES for 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one is CCCCc1c(N)[nH]c2ccc(OC)cc2c1=O.
What is the InChIKey of 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one?
The InChIKey is ZQCNGULZAKSJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-5-10-13(17)11-8-9(18-2)6-7-12(11)16-14(10)15/h6-8H,3-5H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one?
2-amino-3-butyl-6-methoxy-1H-quinolin-4-one has a molecular weight of 246.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-butyl-6-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 46708037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).