1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C22H22N2O4 — CID 23887278

IUPAC1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(c3ccncc3)C3=C2CCCC3=O)c1
InChIInChI=1S/C22H22N2O4/c1-27-16-10-15(11-17(12-16)28-2)24-19-4-3-5-20(25)22(19)18(13-21(24)26)14-6-8-23-9-7-14/h6-12,18H,3-5,13H2,1-2H3
InChIKeyKCECLVLYGMKHNH-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.63
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23887278) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23887278
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(c3ccncc3)C3=C2CCCC3=O)c1
InChIInChI=1S/C22H22N2O4/c1-27-16-10-15(11-17(12-16)28-2)24-19-4-3-5-20(25)22(19)18(13-21(24)26)14-6-8-23-9-7-14/h6-12,18H,3-5,13H2,1-2H3
InChIKeyKCECLVLYGMKHNH-UHFFFAOYSA-N
XLogP3.63
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Related Compounds

4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496703
(4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426529
1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496733
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773222
1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999030
4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055
(4S)-4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426511
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773184
4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25039684
4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 71591822
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915295
N-[4-[4-(4-methylphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide
CID 23887284

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23887278) is 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1cc(OC)cc(N2C(=O)CC(c3ccncc3)C3=C2CCCC3=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is KCECLVLYGMKHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-16-10-15(11-17(12-16)28-2)24-19-4-3-5-20(25)22(19)18(13-21(24)26)14-6-8-23-9-7-14/h6-12,18H,3-5,13H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 378.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23887278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).