N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C23H22N4O4 — CID 2475458

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3cc(C)[nH]n3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C23H22N4O4/c1-13-9-21(27-26-13)25-23(28)16-12-18(24-17-8-6-5-7-15(16)17)14-10-19(29-2)22(31-4)20(11-14)30-3/h5-12H,1-4H3,(H2,25,26,27,28)
InChIKeyCFDURPJYSVHPHD-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.21
Rot. Bonds6

About N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 2475458) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID2475458
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3cc(C)[nH]n3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C23H22N4O4/c1-13-9-21(27-26-13)25-23(28)16-12-18(24-17-8-6-5-7-15(16)17)14-10-19(29-2)22(31-4)20(11-14)30-3/h5-12H,1-4H3,(H2,25,26,27,28)
InChIKeyCFDURPJYSVHPHD-UHFFFAOYSA-N
XLogP4.21
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 2475458) is N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)Nc3cc(C)[nH]n3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CFDURPJYSVHPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-13-9-21(27-26-13)25-23(28)16-12-18(24-17-8-6-5-7-15(16)17)14-10-19(29-2)22(31-4)20(11-14)30-3/h5-12H,1-4H3,(H2,25,26,27,28).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2475458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).