methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C27H29NO3 — CID 71455555

IUPACmethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CC(C(C)C)C2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H29NO3/c1-16(2)21-14-22-26(23(29)15-21)25(24(17(3)28-22)27(30)31-4)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16,21,25,28H,14-15H2,1-4H3
InChIKeyYXNVYDRRFSHTBA-UHFFFAOYSA-N
MW415.53 g/mol
LogP5.38
Rot. Bonds4

About methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 71455555) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID71455555
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Namemethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CC(C(C)C)C2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H29NO3/c1-16(2)21-14-22-26(23(29)15-21)25(24(17(3)28-22)27(30)31-4)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16,21,25,28H,14-15H2,1-4H3
InChIKeyYXNVYDRRFSHTBA-UHFFFAOYSA-N
XLogP5.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2869771
methyl (4R,7R)-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1117605
methyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 5131549
propan-2-yl (4R,7R)-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1361420
methyl 2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847626
methyl (4R,7R)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1098458
2-methylpropyl (4R)-2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1367522
methyl 2,7,7-trimethyl-4-[4-(2-methylphenyl)phenyl]-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 71462736
methyl (4R)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 746997
methyl (4S,7R)-2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1359670
methyl (4S,7S)-7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1118844
methyl 7-(4-chlorophenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2863675

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 71455555) is methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is COC(=O)C1=C(C)NC2=C(C(=O)CC(C(C)C)C2)C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is YXNVYDRRFSHTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO3/c1-16(2)21-14-22-26(23(29)15-21)25(24(17(3)28-22)27(30)31-4)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16,21,25,28H,14-15H2,1-4H3.
What are the key properties of methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propan-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71455555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).