6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride

C12H15ClN2O3 — CID 156729282

IUPAC6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride
SMILESCC(=O)COc1cc2cc(N)ccc2[nH]c1=O.Cl.[H][H]
InChIInChI=1S/C12H12N2O3.ClH.H2/c1-7(15)6-17-11-5-8-4-9(13)2-3-10(8)14-12(11)16;;/h2-5H,6,13H2,1H3,(H,14,16);2*1H
InChIKeyFPKKHPAJJBQYGE-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.75
Rot. Bonds3

About 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride

6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride (PubChem CID 156729282) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Name6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride
PubChem CID156729282
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride
SMILESCC(=O)COc1cc2cc(N)ccc2[nH]c1=O.Cl.[H][H]
InChIInChI=1S/C12H12N2O3.ClH.H2/c1-7(15)6-17-11-5-8-4-9(13)2-3-10(8)14-12(11)16;;/h2-5H,6,13H2,1H3,(H,14,16);2*1H
InChIKeyFPKKHPAJJBQYGE-UHFFFAOYSA-N
XLogP1.75
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.75
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-3-ethyl-1H-quinolin-2-one
CID 172552849
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
6-amino-3-(aminomethyl)-1H-quinolin-2-one
CID 82504541
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
6-amino-3-phenyl-1H-quinolin-2-one
CID 118872239
3,3-dimethylbutyl 5-amino-1H-indole-2-carboxylate
CID 107363380
2-[(4-methylphenoxy)methyl]-1H-indol-5-amine
CID 117176790
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride
CID 67674687
2-propoxyethyl 5-amino-1H-indole-2-carboxylate
CID 107363371

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride?
The IUPAC name of 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride (CID 156729282) is 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride.
What is the SMILES notation for 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride?
The canonical SMILES for 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride is CC(=O)COc1cc2cc(N)ccc2[nH]c1=O.Cl.[H][H].
What is the InChIKey of 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride?
The InChIKey is FPKKHPAJJBQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.ClH.H2/c1-7(15)6-17-11-5-8-4-9(13)2-3-10(8)14-12(11)16;;/h2-5H,6,13H2,1H3,(H,14,16);2*1H.
What are the key properties of 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride?
6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride has a molecular weight of 270.72 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride is sourced from PubChem (CID 156729282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).