1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline

C19H16ClN3O — CID 110173752

IUPAC1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline
SMILESCOc1cccc2c1nc(C)c1c(C)nn(-c3ccccc3Cl)c12
InChIInChI=1S/C19H16ClN3O/c1-11-17-12(2)22-23(15-9-5-4-8-14(15)20)19(17)13-7-6-10-16(24-3)18(13)21-11/h4-10H,1-3H3
InChIKeyZNKOTRARQZOKEO-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.85
Rot. Bonds2

About 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline

1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline (PubChem CID 110173752) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline
PubChem CID110173752
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline
SMILESCOc1cccc2c1nc(C)c1c(C)nn(-c3ccccc3Cl)c12
InChIInChI=1S/C19H16ClN3O/c1-11-17-12(2)22-23(15-9-5-4-8-14(15)20)19(17)13-7-6-10-16(24-3)18(13)21-11/h4-10H,1-3H3
InChIKeyZNKOTRARQZOKEO-UHFFFAOYSA-N
XLogP4.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697
5-chloro-4-(chloromethyl)-1-(2-methoxyphenyl)-3-methylpyrazole
CID 63033333
5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
CID 66023026
5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
CID 2263257
3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261970
11-(2-chlorophenyl)-5-(2-methoxyphenyl)-3-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66506127
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
1-(2-chlorophenyl)-3-methyl-6-(trichloromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135526652
3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
CID 117123617
(4R,6R)-1-(2-chlorophenyl)-4-(2,3-dimethoxyphenyl)-3,6-dimethyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135959139
1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline
CID 142666155

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline (CID 110173752) is 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline is COc1cccc2c1nc(C)c1c(C)nn(-c3ccccc3Cl)c12.
What is the InChIKey of 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline?
The InChIKey is ZNKOTRARQZOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-11-17-12(2)22-23(15-9-5-4-8-14(15)20)19(17)13-7-6-10-16(24-3)18(13)21-11/h4-10H,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline?
1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline has a molecular weight of 337.81 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 110173752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).