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

C24H24N4O3 — CID 995083

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cn(C)nc3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H24N4O3/c1-15-17(14-28(2)27-15)13-25-24(29)19-12-21(26-20-8-6-5-7-18(19)20)16-9-10-22(30-3)23(11-16)31-4/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyHJIHZTFAAJCXKH-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.89
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 995083) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID995083
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cn(C)nc3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H24N4O3/c1-15-17(14-28(2)27-15)13-25-24(29)19-12-21(26-20-8-6-5-7-18(19)20)16-9-10-22(30-3)23(11-16)31-4/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyHJIHZTFAAJCXKH-UHFFFAOYSA-N
XLogP3.89
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide (CID 995083) is 2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cn(C)nc3C)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is HJIHZTFAAJCXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-17(14-28(2)27-15)13-25-24(29)19-12-21(26-20-8-6-5-7-18(19)20)16-9-10-22(30-3)23(11-16)31-4/h5-12,14H,13H2,1-4H3,(H,25,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 995083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).