4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide

C25H22N4O4 — CID 69431335

IUPAC4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)c(-c3cccc(OC)c3)nc3ccc(C(N)=O)cc23)c1
InChIInChI=1S/C25H22N4O4/c1-32-17-7-3-5-14(11-17)22-21(25(27)31)23(28-16-6-4-8-18(13-16)33-2)19-12-15(24(26)30)9-10-20(19)29-22/h3-13H,1-2H3,(H2,26,30)(H2,27,31)(H,28,29)
InChIKeyZZLOVFJTANOXLE-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.86
Rot. Bonds7

About 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide

4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide (PubChem CID 69431335) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide
PubChem CID69431335
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)c(-c3cccc(OC)c3)nc3ccc(C(N)=O)cc23)c1
InChIInChI=1S/C25H22N4O4/c1-32-17-7-3-5-14(11-17)22-21(25(27)31)23(28-16-6-4-8-18(13-16)33-2)19-12-15(24(26)30)9-10-20(19)29-22/h3-13H,1-2H3,(H2,26,30)(H2,27,31)(H,28,29)
InChIKeyZZLOVFJTANOXLE-UHFFFAOYSA-N
XLogP3.86
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-6-yl)-4-(3-methoxyanilino)quinoline-3,6-dicarboxamide
CID 69429525
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
4-(3-methoxyanilino)-6-N-(6-methoxy-3-pyridinyl)quinoline-3,6-dicarboxamide
CID 11374151
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide
CID 44564897
N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318898
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
CID 46298739
[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
CID 11821082
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid
CID 57334340

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide?
The IUPAC name of 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide (CID 69431335) is 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide is COc1cccc(Nc2c(C(N)=O)c(-c3cccc(OC)c3)nc3ccc(C(N)=O)cc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide?
The InChIKey is ZZLOVFJTANOXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-32-17-7-3-5-14(11-17)22-21(25(27)31)23(28-16-6-4-8-18(13-16)33-2)19-12-15(24(26)30)9-10-20(19)29-22/h3-13H,1-2H3,(H2,26,30)(H2,27,31)(H,28,29).
What are the key properties of 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide?
4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide is sourced from PubChem (CID 69431335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).