1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol

C19H16ClN3O3 — CID 145441066

IUPAC1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
SMILESCO.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12
InChIInChI=1S/C18H12ClN3O2.CH4O/c19-13-8-12-7-11(5-6-15(12)20-9-13)10-22-16-4-2-1-3-14(16)17(21-22)18(23)24;1-2/h1-9H,10H2,(H,23,24);2H,1H3
InChIKeyCNRWTNDLEQASOH-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.59
Rot. Bonds3

About 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol

1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol (PubChem CID 145441066) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
PubChem CID145441066
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
SMILESCO.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12
InChIInChI=1S/C18H12ClN3O2.CH4O/c19-13-8-12-7-11(5-6-15(12)20-9-13)10-22-16-4-2-1-3-14(16)17(21-22)18(23)24;1-2/h1-9H,10H2,(H,23,24);2H,1H3
InChIKeyCNRWTNDLEQASOH-UHFFFAOYSA-N
XLogP3.59
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate
CID 158510264
1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 134178700
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane
CID 145441097
4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 135354732
1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
CID 63106124
1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55178017
1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid;ethane
CID 145441016
3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 134177987
3-acetyl-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;ethane
CID 145440952
3-chloro-6-[(3-iodo-5-methoxypyrazolo[3,4-c]pyridin-1-yl)methyl]quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylate
CID 160844800
1-[(4-chloro-2-prop-1-ynylphenyl)methyl]indazole-3-carboxylic acid
CID 11666981

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol (CID 145441066) is 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol is CO.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol?
The InChIKey is CNRWTNDLEQASOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2.CH4O/c19-13-8-12-7-11(5-6-15(12)20-9-13)10-22-16-4-2-1-3-14(16)17(21-22)18(23)24;1-2/h1-9H,10H2,(H,23,24);2H,1H3.
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol?
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol has a molecular weight of 369.81 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol is sourced from PubChem (CID 145441066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).