4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide

C25H23N3O3S — CID 25021199

IUPAC4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide
SMILESCc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)cc1C
InChIInChI=1S/C25H23N3O3S/c1-15-4-8-19(12-16(15)2)28-24-21-11-7-18(13-23(21)27-14-22(24)25(26)29)17-5-9-20(10-6-17)32(3,30)31/h4-14H,1-3H3,(H2,26,29)(H,27,28)
InChIKeyQUJDTMYFVHUEHK-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.76
Rot. Bonds5

About 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide

4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide (PubChem CID 25021199) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide
PubChem CID25021199
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide
SMILESCc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)cc1C
InChIInChI=1S/C25H23N3O3S/c1-15-4-8-19(12-16(15)2)28-24-21-11-7-18(13-23(21)27-14-22(24)25(26)29)17-5-9-20(10-6-17)32(3,30)31/h4-14H,1-3H3,(H2,26,29)(H,27,28)
InChIKeyQUJDTMYFVHUEHK-UHFFFAOYSA-N
XLogP4.76
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phenyl)-N-isopropyl-2-(4-(methylsulfonyl)phenyl)acrylamide
CID 10119563
(Z)-3-(3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phenyl)-N-isopropyl-2-(4-(methylsulfonyl)phenyl)acrylamide
CID 10119564
2-(4-(Methylsulfonyl)phenyl)-3-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)-1-(pyridin-3-yl)propan-1-one
CID 10167862
(E)-N-isopropyl-2-(4-(methylsulfonyl)phenyl)-3-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)acrylamide
CID 10210579
4-(3-Cyanoanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11406358
3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)-N-(pyridin-4-yl)benzamide
CID 21865580
N-(4-(methylsulfonyl)phenyl)-3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzamide
CID 21865627
Losulazine
CID 54750
(E)-N-isopropyl-3-(3-(6-isopropylquinolin-8-yl)phenyl)-2-(4-(methylsulfonyl)phenyl)acrylamide
CID 22083784
N-[2-(2-methylphenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164625701
2-methylsulfonyl-N-quinolin-5-ylbenzamide
CID 2474595
4-[Pyridin-3-ylmethyl-(toluene-4-sulfonyl)-amino]-7-trifluoromethyl-quinoline-3-carboxylic acid hydroxyamide
CID 10118633

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
The IUPAC name of 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide (CID 25021199) is 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide is Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)cc1C.
What is the InChIKey of 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
The InChIKey is QUJDTMYFVHUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-15-4-8-19(12-16(15)2)28-24-21-11-7-18(13-23(21)27-14-22(24)25(26)29)17-5-9-20(10-6-17)32(3,30)31/h4-14H,1-3H3,(H2,26,29)(H,27,28).
What are the key properties of 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 25021199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).