6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide

C21H16ClFN4O — CID 155287720

IUPAC6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
SMILESCc1cc(F)ccc1-c1cc(NC(=O)c2cc3ncccc3cc2Cl)n(C)n1
InChIInChI=1S/C21H16ClFN4O/c1-12-8-14(23)5-6-15(12)19-11-20(27(2)26-19)25-21(28)16-10-18-13(9-17(16)22)4-3-7-24-18/h3-11H,1-2H3,(H,25,28)
InChIKeyDTDILECWISYMQT-UHFFFAOYSA-N
MW394.84 g/mol
LogP4.99
Rot. Bonds3

About 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide

6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide (PubChem CID 155287720) has the molecular formula C21H16ClFN4O and a molecular weight of 394.84 g/mol. Its IUPAC name is 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
PubChem CID155287720
Molecular FormulaC21H16ClFN4O
Molecular Weight394.84 g/mol
Exact Mass394.10
IUPAC Name6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
SMILESCc1cc(F)ccc1-c1cc(NC(=O)c2cc3ncccc3cc2Cl)n(C)n1
InChIInChI=1S/C21H16ClFN4O/c1-12-8-14(23)5-6-15(12)19-11-20(27(2)26-19)25-21(28)16-10-18-13(9-17(16)22)4-3-7-24-18/h3-11H,1-2H3,(H,25,28)
InChIKeyDTDILECWISYMQT-UHFFFAOYSA-N
XLogP4.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide
CID 164806003
6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide
CID 155288458
6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
CID 155287780
2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
CID 167889721
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
N-(3-chlorophenyl)-6-methylquinoline-7-carboxamide
CID 142343847
N-(4-chlorophenyl)-6-fluoroquinoline-7-carboxamide
CID 142343829
6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 155288495
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17234016
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621696
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide?
The IUPAC name of 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide (CID 155287720) is 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide is Cc1cc(F)ccc1-c1cc(NC(=O)c2cc3ncccc3cc2Cl)n(C)n1.
What is the InChIKey of 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide?
The InChIKey is DTDILECWISYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O/c1-12-8-14(23)5-6-15(12)19-11-20(27(2)26-19)25-21(28)16-10-18-13(9-17(16)22)4-3-7-24-18/h3-11H,1-2H3,(H,25,28).
What are the key properties of 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide?
6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide has a molecular weight of 394.84 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide is sourced from PubChem (CID 155287720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).