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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Related Compounds

8-Methoxy-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 10039909
N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 52935059
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 52935715
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57396000
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 57401230
N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 57402100
4-amino-8-(4-methoxy-3-pyridyl)-N-propyl-cinnoline-3-carboxamide
CID 23630065
N-[2-[(2S)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164616722
N-(2-methoxybenzyl)-2-methylquinoline-4-carboxamide
CID 2713353
N-(2-methoxybenzyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3554156
3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenecarboxamide
CID 3561774
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743

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).