N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide

C26H20N4O2 — CID 175202140

IUPACN-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc(-c2ccn(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)n2)cc1
InChIInChI=1S/C26H20N4O2/c1-32-20-13-11-19(12-14-20)23-15-16-30(28-23)29-26(31)22-17-25(18-7-3-2-4-8-18)27-24-10-6-5-9-21(22)24/h2-17H,1H3,(H,29,31)
InChIKeyKBPVIXRZRBTXQL-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.16
Rot. Bonds5

About N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide

N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 175202140) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide
PubChem CID175202140
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC NameN-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc(-c2ccn(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)n2)cc1
InChIInChI=1S/C26H20N4O2/c1-32-20-13-11-19(12-14-20)23-15-16-30(28-23)29-26(31)22-17-25(18-7-3-2-4-8-18)27-24-10-6-5-9-21(22)24/h2-17H,1H3,(H,29,31)
InChIKeyKBPVIXRZRBTXQL-UHFFFAOYSA-N
XLogP5.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561141
[2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
CID 2168689
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide (CID 175202140) is N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide is COc1ccc(-c2ccn(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)n2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide?
The InChIKey is KBPVIXRZRBTXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-32-20-13-11-19(12-14-20)23-15-16-30(28-23)29-26(31)22-17-25(18-7-3-2-4-8-18)27-24-10-6-5-9-21(22)24/h2-17H,1H3,(H,29,31).
What are the key properties of N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide?
N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 175202140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).