3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride

C14H19ClN2O2 — CID 170889697

IUPAC3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride
SMILESCCC(N)Cc1cc2ccc(OC)cc2[nH]c1=O.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-11(15)7-10-6-9-4-5-12(18-2)8-13(9)16-14(10)17;/h4-6,8,11H,3,7,15H2,1-2H3,(H,16,17);1H
InChIKeyHTTVHCDEKPVRBM-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.24
Rot. Bonds4

About 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride

3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride (PubChem CID 170889697) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride
PubChem CID170889697
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride
SMILESCCC(N)Cc1cc2ccc(OC)cc2[nH]c1=O.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-11(15)7-10-6-9-4-5-12(18-2)8-13(9)16-14(10)17;/h4-6,8,11H,3,7,15H2,1-2H3,(H,16,17);1H
InChIKeyHTTVHCDEKPVRBM-UHFFFAOYSA-N
XLogP2.24
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
CID 13342125
1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride
CID 170890664
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447354
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
CID 4079737
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 3430411
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110298870
N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 1427665
2-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324772

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride (CID 170889697) is 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride is CCC(N)Cc1cc2ccc(OC)cc2[nH]c1=O.Cl.
What is the InChIKey of 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride?
The InChIKey is HTTVHCDEKPVRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-3-11(15)7-10-6-9-4-5-12(18-2)8-13(9)16-14(10)17;/h4-6,8,11H,3,7,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride?
3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 170889697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).