4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide

C25H25N3O2 — CID 139228045

IUPAC4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)c2c(O)cccc2N1
InChIInChI=1S/C25H25N3O2/c1-16-22(25(30)27-18-8-5-4-6-9-18)23(17-12-14-19(15-13-17)28(2)3)24-20(26-16)10-7-11-21(24)29/h4-15,23,26,29H,1-3H3,(H,27,30)
InChIKeyVAMMVVCRHHTTIH-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.93
Rot. Bonds4

About 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide

4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide (PubChem CID 139228045) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide
PubChem CID139228045
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)c2c(O)cccc2N1
InChIInChI=1S/C25H25N3O2/c1-16-22(25(30)27-18-8-5-4-6-9-18)23(17-12-14-19(15-13-17)28(2)3)24-20(26-16)10-7-11-21(24)29/h4-15,23,26,29H,1-3H3,(H,27,30)
InChIKeyVAMMVVCRHHTTIH-UHFFFAOYSA-N
XLogP4.93
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-methyl-N,4-diphenyl-1,4-dihydroquinoline-3-carboxamide
CID 139228042
5-hydroxy-4-(4-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide
CID 139228043
(4R,7S)-4-[4-(dimethylamino)phenyl]-N-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1024219
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929
(4R)-4-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7110409
(4R)-N-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1083615
4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2878532
N-(4-bromophenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 18593967
(4R)-4-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7124949
(4S)-2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-[4-(dimethylamino)phenyl]-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 126001016
1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 17354945
(4R)-4-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111525

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide (CID 139228045) is 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)c2c(O)cccc2N1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide?
The InChIKey is VAMMVVCRHHTTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16-22(25(30)27-18-8-5-4-6-9-18)23(17-12-14-19(15-13-17)28(2)3)24-20(26-16)10-7-11-21(24)29/h4-15,23,26,29H,1-3H3,(H,27,30).
What are the key properties of 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide?
4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 139228045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).