4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide

C23H28N4O2 — CID 66716137

IUPAC4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide
SMILESCN(C)CCCNc1c(C(=O)N(C)C)cnc2ccc(-c3ccc(O)cc3)cc12
InChIInChI=1S/C23H28N4O2/c1-26(2)13-5-12-24-22-19-14-17(16-6-9-18(28)10-7-16)8-11-21(19)25-15-20(22)23(29)27(3)4/h6-11,14-15,28H,5,12-13H2,1-4H3,(H,24,25)
InChIKeyHEQHOPKSACAAII-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.67
Rot. Bonds7

About 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide

4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide (PubChem CID 66716137) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide
PubChem CID66716137
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide
SMILESCN(C)CCCNc1c(C(=O)N(C)C)cnc2ccc(-c3ccc(O)cc3)cc12
InChIInChI=1S/C23H28N4O2/c1-26(2)13-5-12-24-22-19-14-17(16-6-9-18(28)10-7-16)8-11-21(19)25-15-20(22)23(29)27(3)4/h6-11,14-15,28H,5,12-13H2,1-4H3,(H,24,25)
InChIKeyHEQHOPKSACAAII-UHFFFAOYSA-N
XLogP3.67
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile
CID 118671324
ethyl 6-(6-cyano-3-pyridinyl)-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate
CID 66716682
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-hydroxyphenyl)quinolin-3-yl]ethanone;hydrochloride
CID 162327792
ethyl 4-[3-(dimethylamino)propylamino]-6-phenoxyquinoline-3-carboxylate
CID 172914482
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338
6-hydroxy-N,N-dimethylquinoline-4-carboxamide
CID 175724068
3-O-ethyl 6-O-methyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 725474
8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146211919
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]quinolin-3-yl]ethanone
CID 66715945
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[2-(dimethylamino)ethyl]cyclohexyl]amino]quinolin-3-yl]ethanone;hydrochloride
CID 66716086
1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]ethanone
CID 161061498
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide (CID 66716137) is 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide is CN(C)CCCNc1c(C(=O)N(C)C)cnc2ccc(-c3ccc(O)cc3)cc12.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide?
The InChIKey is HEQHOPKSACAAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26(2)13-5-12-24-22-19-14-17(16-6-9-18(28)10-7-16)8-11-21(19)25-15-20(22)23(29)27(3)4/h6-11,14-15,28H,5,12-13H2,1-4H3,(H,24,25).
What are the key properties of 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide?
4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 66716137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).