N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C22H24N2O4 — CID 29198652

IUPACN-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-13(2)23-22(25)16-12-18(24-17-9-7-6-8-15(16)17)14-10-19(26-3)21(28-5)20(11-14)27-4/h6-13H,1-5H3,(H,23,25)
InChIKeyCAEZMDYNLCMNJF-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.07
Rot. Bonds6

About N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 29198652) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID29198652
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-13(2)23-22(25)16-12-18(24-17-9-7-6-8-15(16)17)14-10-19(26-3)21(28-5)20(11-14)27-4/h6-13H,1-5H3,(H,23,25)
InChIKeyCAEZMDYNLCMNJF-UHFFFAOYSA-N
XLogP4.07
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 120506277
N-[1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098159
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 92821447
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 35139214
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 98399051
tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
CID 102304584
N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55964066
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2329897
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 29198652) is N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CAEZMDYNLCMNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13(2)23-22(25)16-12-18(24-17-9-7-6-8-15(16)17)14-10-19(26-3)21(28-5)20(11-14)27-4/h6-13H,1-5H3,(H,23,25).
What are the key properties of N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 29198652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).