N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide

C25H24Cl2N2O3 — CID 23999053

IUPACN-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(c3cccc(Cl)c3Cl)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C25H24Cl2N2O3/c1-14(30)28-15-7-9-16(10-8-15)29-20-12-25(2,3)13-21(31)23(20)18(11-22(29)32)17-5-4-6-19(26)24(17)27/h4-10,18H,11-13H2,1-3H3,(H,28,30)
InChIKeyVHWBVMMVNIUEPX-UHFFFAOYSA-N
MW471.38 g/mol
LogP6.12
Rot. Bonds3

About N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide

N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide (PubChem CID 23999053) has the molecular formula C25H24Cl2N2O3 and a molecular weight of 471.38 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide
PubChem CID23999053
Molecular FormulaC25H24Cl2N2O3
Molecular Weight471.38 g/mol
Exact Mass470.12
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(c3cccc(Cl)c3Cl)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C25H24Cl2N2O3/c1-14(30)28-15-7-9-16(10-8-15)29-20-12-25(2,3)13-21(31)23(20)18(11-22(29)32)17-5-4-6-19(26)24(17)27/h4-10,18H,11-13H2,1-3H3,(H,28,30)
InChIKeyVHWBVMMVNIUEPX-UHFFFAOYSA-N
XLogP6.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.38
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide with MolForge

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Related Compounds

(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266585
N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide
CID 23887252
2-chloro-5-[4-(2-ethoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzoic acid
CID 23802361
4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
CID 25044981
2-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 5295271
7,7-dimethyl-4-(2-methylphenyl)-1-(4-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773221
(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266571
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23831120
(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453
(4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 26458714
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
(4R)-1-(4-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1264268

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide (CID 23999053) is N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CC(c3cccc(Cl)c3Cl)C3=C2CC(C)(C)CC3=O)cc1.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide?
The InChIKey is VHWBVMMVNIUEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3/c1-14(30)28-15-7-9-16(10-8-15)29-20-12-25(2,3)13-21(31)23(20)18(11-22(29)32)17-5-4-6-19(26)24(17)27/h4-10,18H,11-13H2,1-3H3,(H,28,30).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide?
N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide has a molecular weight of 471.38 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide is sourced from PubChem (CID 23999053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).