6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide

C21H17ClN4O2 — CID 155287780

IUPAC6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
SMILESCOc1cccc(-c2cc(NC(=O)c3cc4ncccc4cc3Cl)n(C)n2)c1
InChIInChI=1S/C21H17ClN4O2/c1-26-20(12-19(25-26)13-5-3-7-15(9-13)28-2)24-21(27)16-11-18-14(10-17(16)22)6-4-8-23-18/h3-12H,1-2H3,(H,24,27)
InChIKeyGKDULNHYYPTNLT-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.55
Rot. Bonds4

About 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide

6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide (PubChem CID 155287780) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
PubChem CID155287780
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
SMILESCOc1cccc(-c2cc(NC(=O)c3cc4ncccc4cc3Cl)n(C)n2)c1
InChIInChI=1S/C21H17ClN4O2/c1-26-20(12-19(25-26)13-5-3-7-15(9-13)28-2)24-21(27)16-11-18-14(10-17(16)22)6-4-8-23-18/h3-12H,1-2H3,(H,24,27)
InChIKeyGKDULNHYYPTNLT-UHFFFAOYSA-N
XLogP4.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide
CID 155288458
N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide
CID 164806003
6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
CID 155287720
N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]thiadiazole-4-carboxamide
CID 75394492
N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088704
N-[3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-nitrobenzamide
CID 51701051
N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 86792973
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 21105221
2-chloro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
CID 25281972
N-(2,4-dimethoxypyrimidin-5-yl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122304138

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide?
The IUPAC name of 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide (CID 155287780) is 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide is COc1cccc(-c2cc(NC(=O)c3cc4ncccc4cc3Cl)n(C)n2)c1.
What is the InChIKey of 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide?
The InChIKey is GKDULNHYYPTNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-26-20(12-19(25-26)13-5-3-7-15(9-13)28-2)24-21(27)16-11-18-14(10-17(16)22)6-4-8-23-18/h3-12H,1-2H3,(H,24,27).
What are the key properties of 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide?
6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide is sourced from PubChem (CID 155287780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).