2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide

C23H24N2O4 — CID 9483435

IUPAC2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C3CC3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H24N2O4/c1-27-20-10-14(11-21(28-2)22(20)29-3)13-24-23(26)17-12-19(15-8-9-15)25-18-7-5-4-6-16(17)18/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,24,26)
InChIKeyXNXMLBGGWFTJHJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.07
Rot. Bonds7

About 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide

2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 9483435) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID9483435
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C3CC3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H24N2O4/c1-27-20-10-14(11-21(28-2)22(20)29-3)13-24-23(26)17-12-19(15-8-9-15)25-18-7-5-4-6-16(17)18/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,24,26)
InChIKeyXNXMLBGGWFTJHJ-UHFFFAOYSA-N
XLogP4.07
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
2-cyclopropyl-N-[(2-methoxy-3-pyridinyl)methyl]quinoline-4-carboxamide
CID 37485659
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 31361151
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide
CID 46533084
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 51083364
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide (CID 9483435) is 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide is COc1cc(CNC(=O)c2cc(C3CC3)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is XNXMLBGGWFTJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-27-20-10-14(11-21(28-2)22(20)29-3)13-24-23(26)17-12-19(15-8-9-15)25-18-7-5-4-6-16(17)18/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,24,26).
What are the key properties of 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 9483435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).