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

C26H28N4O3 — CID 19512762

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3ccccc23)c1
InChIInChI=1S/C26H28N4O3/c1-15(20-13-18(32-5)11-12-24(20)33-6)27-26(31)21-14-23(25-16(2)29-30(4)17(25)3)28-22-10-8-7-9-19(21)22/h7-15H,1-6H3,(H,27,31)
InChIKeyJAEWVRKWXVIZLY-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.76
Rot. Bonds6

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

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512762) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512762
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3ccccc23)c1
InChIInChI=1S/C26H28N4O3/c1-15(20-13-18(32-5)11-12-24(20)33-6)27-26(31)21-14-23(25-16(2)29-30(4)17(25)3)28-22-10-8-7-9-19(21)22/h7-15H,1-6H3,(H,27,31)
InChIKeyJAEWVRKWXVIZLY-UHFFFAOYSA-N
XLogP4.76
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512629
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate
CID 46609550
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266522
N-[1-(2-methoxyphenyl)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42930632

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512762) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3ccccc23)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is JAEWVRKWXVIZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-15(20-13-18(32-5)11-12-24(20)33-6)27-26(31)21-14-23(25-16(2)29-30(4)17(25)3)28-22-10-8-7-9-19(21)22/h7-15H,1-6H3,(H,27,31).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).