ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

C24H23ClN2O3 — CID 6967665

IUPACethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccnc1
InChIInChI=1S/C24H23ClN2O3/c1-3-30-24(29)21-14(2)27-19-11-17(15-6-8-18(25)9-7-15)12-20(28)23(19)22(21)16-5-4-10-26-13-16/h4-10,13,17,21-22H,3,11-12H2,1-2H3/t17-,21?,22+/m1/s1
InChIKeyKDEGNHNCBHWNMN-UCLFCPHBSA-N
MW422.91 g/mol
LogP4.87
Rot. Bonds4

About ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (PubChem CID 6967665) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
PubChem CID6967665
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Nameethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccnc1
InChIInChI=1S/C24H23ClN2O3/c1-3-30-24(29)21-14(2)27-19-11-17(15-6-8-18(25)9-7-15)12-20(28)23(19)22(21)16-5-4-10-26-13-16/h4-10,13,17,21-22H,3,11-12H2,1-2H3/t17-,21?,22+/m1/s1
InChIKeyKDEGNHNCBHWNMN-UCLFCPHBSA-N
XLogP4.87
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 78444406
ethyl (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6966655
ethyl (4S,7S)-4,7-bis(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7909706
ethyl (4S,7S)-7-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967612
2-methoxyethyl (4R,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7088696
ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967669
ethyl (4R,7R)-4-(3-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968188
methyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089859
ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 90745760
propyl (4R,7S)-7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7084108
ethyl (4S,7S)-7-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967660
[(2S)-butan-2-yl] (4R,7R)-4-(3-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7090291

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The IUPAC name of ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (CID 6967665) is ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The canonical SMILES for ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is CCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccnc1.
What is the InChIKey of ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The InChIKey is KDEGNHNCBHWNMN-UCLFCPHBSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-3-30-24(29)21-14(2)27-19-11-17(15-6-8-18(25)9-7-15)12-20(28)23(19)22(21)16-5-4-10-26-13-16/h4-10,13,17,21-22H,3,11-12H2,1-2H3/t17-,21?,22+/m1/s1.
What are the key properties of ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate has a molecular weight of 422.91 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is sourced from PubChem (CID 6967665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).