(4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide

C18H18Cl2N2O3 — CID 7247833

IUPAC(4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-18(2)7-13-16(14(23)8-18)12(6-15(24)22-13)17(25)21-11-4-9(19)3-10(20)5-11/h3-5,12H,6-8H2,1-2H3,(H,21,25)(H,22,24)/t12-/m1/s1
InChIKeySCPZAFBBQJVDAI-GFCCVEGCSA-N
MW381.26 g/mol
LogP3.71
Rot. Bonds2

About (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide

(4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide (PubChem CID 7247833) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
PubChem CID7247833
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name(4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-18(2)7-13-16(14(23)8-18)12(6-15(24)22-13)17(25)21-11-4-9(19)3-10(20)5-11/h3-5,12H,6-8H2,1-2H3,(H,21,25)(H,22,24)/t12-/m1/s1
InChIKeySCPZAFBBQJVDAI-GFCCVEGCSA-N
XLogP3.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

(4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7248030
dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3161003
(4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7394512
(4R)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7394509
methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7357293
N-(4-chlorophenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 4902647
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
methyl (4S)-4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1091167
(5S)-2-(4-chloroanilino)-N-(3,5-dichlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876012
N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994705
N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide
CID 3443810
(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 7354467

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide (CID 7247833) is (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide is CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
The InChIKey is SCPZAFBBQJVDAI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-18(2)7-13-16(14(23)8-18)12(6-15(24)22-13)17(25)21-11-4-9(19)3-10(20)5-11/h3-5,12H,6-8H2,1-2H3,(H,21,25)(H,22,24)/t12-/m1/s1.
What are the key properties of (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
(4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 7247833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).