6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride

C10H9Cl2NO2 — CID 172686181

IUPAC6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride
SMILESCOc1cc2[nH]c(=O)ccc2cc1Cl.Cl
InChIInChI=1S/C10H8ClNO2.ClH/c1-14-9-5-8-6(4-7(9)11)2-3-10(13)12-8;/h2-5H,1H3,(H,12,13);1H
InChIKeyBBKAKMBVGGIKDU-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.61
Rot. Bonds1

About 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride

6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride (PubChem CID 172686181) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride
PubChem CID172686181
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride
SMILESCOc1cc2[nH]c(=O)ccc2cc1Cl.Cl
InChIInChI=1S/C10H8ClNO2.ClH/c1-14-9-5-8-6(4-7(9)11)2-3-10(13)12-8;/h2-5H,1H3,(H,12,13);1H
InChIKeyBBKAKMBVGGIKDU-UHFFFAOYSA-N
XLogP2.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-6-methoxy-1H-quinoline-2-thione
CID 83643182
carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole
CID 161417002
CID 154597526
CID 154597526
8,9-dimethoxy-4H-benzo[f]quinolin-3-one
CID 160947802
6-(4-methoxyphenyl)-7-methyl-1H-quinolin-2-one
CID 169119719
6-(4-chlorophenyl)-1H-quinolin-2-one
CID 67364248
6-chloro-5-methoxy-1H-quinolin-2-one
CID 59141010
5-chloro-6-methoxy-1H-pyridin-2-one
CID 118989149
1H-benzo[g]quinolin-2-one
CID 19597016
6-[(4-methoxyphenyl)methyl]-1H-quinolin-2-one
CID 70082190
7-bromo-5-methoxy-1H-quinolin-2-one
CID 165134344
6-chloro-4-methoxy-1H-quinolin-2-one
CID 67443391

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride (CID 172686181) is 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride is COc1cc2[nH]c(=O)ccc2cc1Cl.Cl.
What is the InChIKey of 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride?
The InChIKey is BBKAKMBVGGIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2.ClH/c1-14-9-5-8-6(4-7(9)11)2-3-10(13)12-8;/h2-5H,1H3,(H,12,13);1H.
What are the key properties of 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride?
6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride has a molecular weight of 246.09 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 172686181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).