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

C24H28N2O4 — CID 35139214

IUPACN-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NCCC(C)C)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O4/c1-15(2)10-11-25-24(27)18-14-20(26-19-9-7-6-8-17(18)19)16-12-21(28-3)23(30-5)22(13-16)29-4/h6-9,12-15H,10-11H2,1-5H3,(H,25,27)
InChIKeyXLBPOSNQOOQPDY-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.70
Rot. Bonds8

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

N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 35139214) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID35139214
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NCCC(C)C)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O4/c1-15(2)10-11-25-24(27)18-14-20(26-19-9-7-6-8-17(18)19)16-12-21(28-3)23(30-5)22(13-16)29-4/h6-9,12-15H,10-11H2,1-5H3,(H,25,27)
InChIKeyXLBPOSNQOOQPDY-UHFFFAOYSA-N
XLogP4.70
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 120506277
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013
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-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
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
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 35139214) is N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)NCCC(C)C)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is XLBPOSNQOOQPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-15(2)10-11-25-24(27)18-14-20(26-19-9-7-6-8-17(18)19)16-12-21(28-3)23(30-5)22(13-16)29-4/h6-9,12-15H,10-11H2,1-5H3,(H,25,27).
What are the key properties of N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 35139214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).