6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride

C12H14ClNO3 — CID 91665124

IUPAC6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride
SMILESCOc1cc2[nH]c(C)cc(=O)c2cc1OC.Cl
InChIInChI=1S/C12H13NO3.ClH/c1-7-4-10(14)8-5-11(15-2)12(16-3)6-9(8)13-7;/h4-6H,1-3H3,(H,13,14);1H
InChIKeyAICUAUDTPJYESJ-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.28
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride

6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride (PubChem CID 91665124) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride
PubChem CID91665124
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride
SMILESCOc1cc2[nH]c(C)cc(=O)c2cc1OC.Cl
InChIInChI=1S/C12H13NO3.ClH/c1-7-4-10(14)8-5-11(15-2)12(16-3)6-9(8)13-7;/h4-6H,1-3H3,(H,13,14);1H
InChIKeyAICUAUDTPJYESJ-UHFFFAOYSA-N
XLogP2.28
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-4-one
CID 131748418
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789848
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
5,6-dimethoxy-2-methyl-1H-indole;ethane
CID 171088058
3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
CID 141228564
4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide
CID 175944508
6,7-dimethoxy-1H-cinnolin-4-one
CID 12932777
6,7-dimethoxy-4-sulfanylidene-1H-quinazolin-2-one
CID 15430356
4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 102205474
6-fluoro-2-methyl-7-phenylmethoxy-1H-quinolin-4-one
CID 22641455
6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
CID 167049049
4-amino-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonitrile;hydrate
CID 110169121

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride?
The IUPAC name of 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride (CID 91665124) is 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride is COc1cc2[nH]c(C)cc(=O)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride?
The InChIKey is AICUAUDTPJYESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3.ClH/c1-7-4-10(14)8-5-11(15-2)12(16-3)6-9(8)13-7;/h4-6H,1-3H3,(H,13,14);1H.
What are the key properties of 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride?
6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride has a molecular weight of 255.70 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride is sourced from PubChem (CID 91665124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).