3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane

C20H18ClN3O2 — CID 145441097

IUPAC3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane
SMILESCC.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12
InChIInChI=1S/C18H12ClN3O2.C2H6/c19-13-9-12-7-11(4-5-14(12)20-10-13)8-16-21-17(18(23)24)15-3-1-2-6-22(15)16;1-2/h1-7,9-10H,8H2,(H,23,24);1-2H3
InChIKeyMCRXJOFYDILOPC-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.85
Rot. Bonds3

About 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane

3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane (PubChem CID 145441097) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane.

Molecular Properties

Compound Name3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane
PubChem CID145441097
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane
SMILESCC.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12
InChIInChI=1S/C18H12ClN3O2.C2H6/c19-13-9-12-7-11(4-5-14(12)20-10-13)8-16-21-17(18(23)24)15-3-1-2-6-22(15)16;1-2/h1-7,9-10H,8H2,(H,23,24);1-2H3
InChIKeyMCRXJOFYDILOPC-UHFFFAOYSA-N
XLogP4.85
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane with MolForge

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Related Compounds

1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate
CID 158510264
5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylic acid
CID 134178437
3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026
5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylic acid;hydrochloride
CID 135354686
1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid;ethane
CID 145441016
4-bromo-2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid
CID 159181302
3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984046
1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylic acid
CID 158099732
5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylic acid;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;methane;hydrochloride
CID 159298863
1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 134178700
5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;hydrochloride
CID 135354526

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane?
The IUPAC name of 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane (CID 145441097) is 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane.
What is the SMILES notation for 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane?
The canonical SMILES for 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane is CC.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12.
What is the InChIKey of 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane?
The InChIKey is MCRXJOFYDILOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2.C2H6/c19-13-9-12-7-11(4-5-14(12)20-10-13)8-16-21-17(18(23)24)15-3-1-2-6-22(15)16;1-2/h1-7,9-10H,8H2,(H,23,24);1-2H3.
What are the key properties of 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane?
3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane has a molecular weight of 367.84 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane is sourced from PubChem (CID 145441097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).