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

C29H25N3O4 — CID 3900592

IUPACN-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3cc(C)nc4ccccc34)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C29H25N3O4/c1-17-13-25(20-10-6-8-12-23(20)30-17)32-29(33)21-16-24(31-22-11-7-5-9-19(21)22)18-14-26(34-2)28(36-4)27(15-18)35-3/h5-16H,1-4H3,(H,30,32,33)
InChIKeyXAFCIDLSBZXZRM-UHFFFAOYSA-N
MW479.54 g/mol
LogP6.04
Rot. Bonds6

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

N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 3900592) has the molecular formula C29H25N3O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID3900592
Molecular FormulaC29H25N3O4
Molecular Weight479.54 g/mol
Exact Mass479.18
IUPAC NameN-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3cc(C)nc4ccccc34)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C29H25N3O4/c1-17-13-25(20-10-6-8-12-23(20)30-17)32-29(33)21-16-24(31-22-11-7-5-9-19(21)22)18-14-26(34-2)28(36-4)27(15-18)35-3/h5-16H,1-4H3,(H,30,32,33)
InChIKeyXAFCIDLSBZXZRM-UHFFFAOYSA-N
XLogP6.04
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46461794
dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 2089041
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2329897
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
N-(5-acetamido-2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 43052490
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55782729
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706
tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
CID 102304584

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 3900592) is N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)Nc3cc(C)nc4ccccc34)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is XAFCIDLSBZXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O4/c1-17-13-25(20-10-6-8-12-23(20)30-17)32-29(33)21-16-24(31-22-11-7-5-9-19(21)22)18-14-26(34-2)28(36-4)27(15-18)35-3/h5-16H,1-4H3,(H,30,32,33).
What are the key properties of N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3900592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).