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

C30H34N4O — CID 46323484

IUPACN-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C30H34N4O/c1-20(2)22-14-16-24(17-15-22)34-21(3)27(19-31-34)29-18-26(25-12-8-9-13-28(25)33-29)30(35)32-23-10-6-4-5-7-11-23/h8-9,12-20,23H,4-7,10-11H2,1-3H3,(H,32,35)
InChIKeyKFKFLZANLWBXRQ-UHFFFAOYSA-N
MW466.63 g/mol
LogP6.97
Rot. Bonds5

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

N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 46323484) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID46323484
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC NameN-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C30H34N4O/c1-20(2)22-14-16-24(17-15-22)34-21(3)27(19-31-34)29-18-26(25-12-8-9-13-28(25)33-29)30(35)32-23-10-6-4-5-7-11-23/h8-9,12-20,23H,4-7,10-11H2,1-3H3,(H,32,35)
InChIKeyKFKFLZANLWBXRQ-UHFFFAOYSA-N
XLogP6.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide 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

N-cyclohexyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323629
N-(3-ethoxypropyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 50780853
N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323500
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323440
N-(2-ethylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323489
N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323522
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323368
N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323531
N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323493
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 92869383
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 46323352
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide
CID 46323443

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 46323484) is N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is KFKFLZANLWBXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O/c1-20(2)22-14-16-24(17-15-22)34-21(3)27(19-31-34)29-18-26(25-12-8-9-13-28(25)33-29)30(35)32-23-10-6-4-5-7-11-23/h8-9,12-20,23H,4-7,10-11H2,1-3H3,(H,32,35).
What are the key properties of N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46323484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).