methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate

C24H21ClN4O2 — CID 156895128

IUPACmethyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C)c4)c(Cl)cc32)n1
InChIInChI=1S/C24H21ClN4O2/c1-28-14-17(13-26-28)19-10-16-7-5-9-29(22(16)12-20(19)25)23-18-8-4-3-6-15(18)11-21(27-23)24(30)31-2/h3-4,6,8,10-14H,5,7,9H2,1-2H3
InChIKeyHIAAAWFHRLYFDI-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.16
Rot. Bonds3

About methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate

methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate (PubChem CID 156895128) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate
PubChem CID156895128
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Namemethyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C)c4)c(Cl)cc32)n1
InChIInChI=1S/C24H21ClN4O2/c1-28-14-17(13-26-28)19-10-16-7-5-9-29(22(16)12-20(19)25)23-18-8-4-3-6-15(18)11-21(27-23)24(30)31-2/h3-4,6,8,10-14H,5,7,9H2,1-2H3
InChIKeyHIAAAWFHRLYFDI-UHFFFAOYSA-N
XLogP5.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[7-(difluoromethyl)-6-pyrimidin-5-yl-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate
CID 156895096
methyl 1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-(2-oxo-1,3-oxazolidin-3-yl)isoquinoline-3-carboxylate
CID 156895123
5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide
CID 166806625
1-[6-(1-methylpyrazol-4-yl)-4-oxo-2,3-dihydroquinolin-1-yl]isoquinoline-3-carboxylic acid
CID 166793064
1-[3-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372764
1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-(oxolan-3-yl)isoquinoline-3-carboxylic acid
CID 168756702
N-methyl-1-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]isoquinoline-3-carboxamide
CID 166806611
ethyl 8-[6-[1-(cyanomethyl)pyrazol-4-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate
CID 156895092
7-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385724
methyl 1-(4-chlorophenyl)isoquinoline-3-carboxylate
CID 131843858
4-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-(4-methoxyphenyl)-N-methyl-1,3-dihydroisoindole-2-carboxamide
CID 171417307
1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 121385853

Frequently Asked Questions

What is the IUPAC name of methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate?
The IUPAC name of methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate (CID 156895128) is methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate.
What is the SMILES notation for methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate?
The canonical SMILES for methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate is COC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C)c4)c(Cl)cc32)n1.
What is the InChIKey of methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate?
The InChIKey is HIAAAWFHRLYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-28-14-17(13-26-28)19-10-16-7-5-9-29(22(16)12-20(19)25)23-18-8-4-3-6-15(18)11-21(27-23)24(30)31-2/h3-4,6,8,10-14H,5,7,9H2,1-2H3.
What are the key properties of methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate?
methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate has a molecular weight of 432.91 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]isoquinoline-3-carboxylate is sourced from PubChem (CID 156895128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).