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

C27H29NO3 — CID 71014144

IUPACmethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCCC1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C1
InChIInChI=1S/C27H29NO3/c1-4-8-18-15-22-26(23(29)16-18)25(24(17(2)28-22)27(30)31-3)21-13-11-20(12-14-21)19-9-6-5-7-10-19/h5-7,9-14,18,25,28H,4,8,15-16H2,1-3H3
InChIKeySELHMJJKAWZPBV-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.60
Rot. Bonds6

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

methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 71014144) has the molecular formula C27H29NO3 and a molecular weight of 415.50 g/mol. Its IUPAC name is methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID71014144
Molecular FormulaC27H29NO3
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Namemethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCCC1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C1
InChIInChI=1S/C27H29NO3/c1-4-8-18-15-22-26(23(29)16-18)25(24(17(2)28-22)27(30)31-3)21-13-11-20(12-14-21)19-9-6-5-7-10-19/h5-7,9-14,18,25,28H,4,8,15-16H2,1-3H3
InChIKeySELHMJJKAWZPBV-UHFFFAOYSA-N
XLogP5.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity750

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

1,4-Dihydro-2,6-dimethyl-4-phenyl-3,5-pyridinecarboxylic acid dimethyl ester
CID 129839
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-phenyl-, ethyl ester
CID 202803
Diisopropyl 2,6-dimethyl-4-(4-methyl-PH)-1,4-dihydro-3,5-pyridinedicarboxylate
CID 1523963
Dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 717286
3,5-Dimethyl 1,4-dihydro-2,6-dimethyl-4-(4-methylphenyl)-3,5-pyridinedicarboxylate
CID 726130
2,6-Dimethyl-4-P-tolyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
CID 376363
ST061321
CID 2864982
Diethyl 4-(4-isopropylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 1523974
Dimethyl 4-(4-tert-butyl-PH)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 1523982
Methyl 7-(4-chlorophenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2864980
Propan-2-yl 7-(4-chlorophenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3128858
3,5-Bis(prop-2-en-1-yl) 2,6-dimethyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 4646356

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 71014144) is methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CCCC1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C1.
What is the InChIKey of methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is SELHMJJKAWZPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO3/c1-4-8-18-15-22-26(23(29)16-18)25(24(17(2)28-22)27(30)31-3)21-13-11-20(12-14-21)19-9-6-5-7-10-19/h5-7,9-14,18,25,28H,4,8,15-16H2,1-3H3.
What are the key properties of methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 415.50 g/mol, XLogP of 5.60, 6 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-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71014144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).