N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

C30H27ClN4O — CID 46323500

IUPACN-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cnn(-c4ccc(C(C)C)cc4)c3C)nc3ccccc23)cc1Cl
InChIInChI=1S/C30H27ClN4O/c1-18(2)21-10-13-23(14-11-21)35-20(4)26(17-32-35)29-16-25(24-7-5-6-8-28(24)34-29)30(36)33-22-12-9-19(3)27(31)15-22/h5-18H,1-4H3,(H,33,36)
InChIKeyZVRUODHAELZFDR-UHFFFAOYSA-N
MW495.03 g/mol
LogP7.73
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 46323500) has the molecular formula C30H27ClN4O and a molecular weight of 495.03 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID46323500
Molecular FormulaC30H27ClN4O
Molecular Weight495.03 g/mol
Exact Mass494.19
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cnn(-c4ccc(C(C)C)cc4)c3C)nc3ccccc23)cc1Cl
InChIInChI=1S/C30H27ClN4O/c1-18(2)21-10-13-23(14-11-21)35-20(4)26(17-32-35)29-16-25(24-7-5-6-8-28(24)34-29)30(36)33-22-12-9-19(3)27(31)15-22/h5-18H,1-4H3,(H,33,36)
InChIKeyZVRUODHAELZFDR-UHFFFAOYSA-N
XLogP7.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323522
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323440
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323368
N-(2-ethylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323489
N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323531
N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323484
N-(3-ethoxypropyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 50780853
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323415
N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323493
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 50779234
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 46323352
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 92869383

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 46323500) is N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cnn(-c4ccc(C(C)C)cc4)c3C)nc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is ZVRUODHAELZFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN4O/c1-18(2)21-10-13-23(14-11-21)35-20(4)26(17-32-35)29-16-25(24-7-5-6-8-28(24)34-29)30(36)33-22-12-9-19(3)27(31)15-22/h5-18H,1-4H3,(H,33,36).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 495.03 g/mol, XLogP of 7.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46323500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).