ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate

C22H23NO4 — CID 163790468

IUPACethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate
SMILESCCOC(=O)c1c(OC(C)=O)c(-c2ccccc2)nc2c1=C[C@@H](C)[C@@H](C)C=2
InChIInChI=1S/C22H23NO4/c1-5-26-22(25)19-17-11-13(2)14(3)12-18(17)23-20(21(19)27-15(4)24)16-9-7-6-8-10-16/h6-14H,5H2,1-4H3/t13-,14+/m1/s1
InChIKeyMWGOBJZDGVADOP-KGLIPLIRSA-N
MW365.43 g/mol
LogP2.70
Rot. Bonds4

About ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate

ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate (PubChem CID 163790468) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate
PubChem CID163790468
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate
SMILESCCOC(=O)c1c(OC(C)=O)c(-c2ccccc2)nc2c1=C[C@@H](C)[C@@H](C)C=2
InChIInChI=1S/C22H23NO4/c1-5-26-22(25)19-17-11-13(2)14(3)12-18(17)23-20(21(19)27-15(4)24)16-9-7-6-8-10-16/h6-14H,5H2,1-4H3/t13-,14+/m1/s1
InChIKeyMWGOBJZDGVADOP-KGLIPLIRSA-N
XLogP2.70
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 4-acetyloxyquinoline-2,3-dicarboxylate
CID 132505447
ethyl 4-acetyloxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 14569474
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 4-pentyl-2-phenylquinoline-3-carboxylate
CID 45141730
ethyl 1-phenyl-3-prop-2-enylisoquinoline-4-carboxylate
CID 102482698
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
CID 154709525
CID 154709525
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 2-aminoazulene-1-carboxylate
CID 11458568

Frequently Asked Questions

What is the IUPAC name of ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate?
The IUPAC name of ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate (CID 163790468) is ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate.
What is the SMILES notation for ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate?
The canonical SMILES for ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate is CCOC(=O)c1c(OC(C)=O)c(-c2ccccc2)nc2c1=C[C@@H](C)[C@@H](C)C=2.
What is the InChIKey of ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate?
The InChIKey is MWGOBJZDGVADOP-KGLIPLIRSA-N. The full InChI is InChI=1S/C22H23NO4/c1-5-26-22(25)19-17-11-13(2)14(3)12-18(17)23-20(21(19)27-15(4)24)16-9-7-6-8-10-16/h6-14H,5H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate?
ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S,7R)-3-acetyloxy-6,7-dimethyl-2-phenyl-6,7-dihydroquinoline-4-carboxylate is sourced from PubChem (CID 163790468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).