2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide

C25H26N4O3 — CID 1293020

IUPAC2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3cc(OC)ccc3OC)nc3ccccc23)c(C)n1
InChIInChI=1S/C25H26N4O3/c1-5-29-15-17(16(2)28-29)14-26-25(30)20-13-23(27-22-9-7-6-8-19(20)22)21-12-18(31-3)10-11-24(21)32-4/h6-13,15H,5,14H2,1-4H3,(H,26,30)
InChIKeyKSCNZDVQWMUGPJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.37
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide

2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 1293020) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID1293020
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3cc(OC)ccc3OC)nc3ccccc23)c(C)n1
InChIInChI=1S/C25H26N4O3/c1-5-29-15-17(16(2)28-29)14-26-25(30)20-13-23(27-22-9-7-6-8-19(20)22)21-12-18(31-3)10-11-24(21)32-4/h6-13,15H,5,14H2,1-4H3,(H,26,30)
InChIKeyKSCNZDVQWMUGPJ-UHFFFAOYSA-N
XLogP4.37
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide (CID 1293020) is 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide is CCn1cc(CNC(=O)c2cc(-c3cc(OC)ccc3OC)nc3ccccc23)c(C)n1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is KSCNZDVQWMUGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-5-29-15-17(16(2)28-29)14-26-25(30)20-13-23(27-22-9-7-6-8-19(20)22)21-12-18(31-3)10-11-24(21)32-4/h6-13,15H,5,14H2,1-4H3,(H,26,30).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1293020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).