2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide

C24H24N4O — CID 995079

IUPAC2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cnn(C)c3C)c3ccccc3n2)cc1C
InChIInChI=1S/C24H24N4O/c1-15-9-10-18(11-16(15)2)23-12-21(20-7-5-6-8-22(20)27-23)24(29)25-13-19-14-26-28(4)17(19)3/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyYJRIFMCGKDZTHV-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.49
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 995079) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID995079
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cnn(C)c3C)c3ccccc3n2)cc1C
InChIInChI=1S/C24H24N4O/c1-15-9-10-18(11-16(15)2)23-12-21(20-7-5-6-8-22(20)27-23)24(29)25-13-19-14-26-28(4)17(19)3/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyYJRIFMCGKDZTHV-UHFFFAOYSA-N
XLogP4.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide (CID 995079) is 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3cnn(C)c3C)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is YJRIFMCGKDZTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-15-9-10-18(11-16(15)2)23-12-21(20-7-5-6-8-22(20)27-23)24(29)25-13-19-14-26-28(4)17(19)3/h5-12,14H,13H2,1-4H3,(H,25,29).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 995079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).