propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

C30H36N2O3 — CID 90692895

About propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (PubChem CID 90692895) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
• PubChem CID: 90692895
• Molecular Formula: C30H36N2O3
• Molecular Weight: 472.63 g/mol
• Exact Mass: 472.27
• IUPAC Name: propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
• SMILES: CCN(CC)c1ccc(C2C3=C(CC(c4ccccc4)CC3=O)N=C(C)C2C(=O)OC(C)C)cc1
• InChI: InChI=1S/C30H36N2O3/c1-6-32(7-2)24-15-13-22(14-16-24)28-27(30(34)35-19(3)4)20(5)31-25-17-23(18-26(33)29(25)28)21-11-9-8-10-12-21/h8-16,19,23,27-28H,6-7,17-18H2,1-5H3
• InChIKey: KEJRPMBCVVAGNM-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 58.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.63
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

The IUPAC name of propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (CID 90692895) is propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

What is the SMILES notation for propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

The canonical SMILES for propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is CCN(CC)c1ccc(C2C3=C(CC(c4ccccc4)CC3=O)N=C(C)C2C(=O)OC(C)C)cc1.

What is the InChIKey of propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

The InChIKey is KEJRPMBCVVAGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-6-32(7-2)24-15-13-22(14-16-24)28-27(30(34)35-19(3)4)20(5)31-25-17-23(18-26(33)29(25)28)21-11-9-8-10-12-21/h8-16,19,23,27-28H,6-7,17-18H2,1-5H3.

What are the key properties of propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate has a molecular weight of 472.63 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is sourced from PubChem (CID 90692895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).