ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate

C30H34N2O3 — CID 67442852

IUPACethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(-c3ccc(C(=O)NC(C)C)cc3)c1)N2
InChIInChI=1S/C30H34N2O3/c1-6-35-29(34)24-14-15-26-25(17-24)18-30(4,5)27(32-26)23-9-7-8-22(16-23)20-10-12-21(13-11-20)28(33)31-19(2)3/h7-17,19,27,32H,6,18H2,1-5H3,(H,31,33)
InChIKeyQTWWOOZRZSRMAT-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.40
Rot. Bonds6

About ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate

ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 67442852) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID67442852
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Nameethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(-c3ccc(C(=O)NC(C)C)cc3)c1)N2
InChIInChI=1S/C30H34N2O3/c1-6-35-29(34)24-14-15-26-25(17-24)18-30(4,5)27(32-26)23-9-7-8-22(16-23)20-10-12-21(13-11-20)28(33)31-19(2)3/h7-17,19,27,32H,6,18H2,1-5H3,(H,31,33)
InChIKeyQTWWOOZRZSRMAT-UHFFFAOYSA-N
XLogP6.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate (CID 67442852) is ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate is CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(-c3ccc(C(=O)NC(C)C)cc3)c1)N2.
What is the InChIKey of ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is QTWWOOZRZSRMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-6-35-29(34)24-14-15-26-25(17-24)18-30(4,5)27(32-26)23-9-7-8-22(16-23)20-10-12-21(13-11-20)28(33)31-19(2)3/h7-17,19,27,32H,6,18H2,1-5H3,(H,31,33).
What are the key properties of ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate?
ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 470.61 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-dimethyl-2-[3-[4-(propan-2-ylcarbamoyl)phenyl]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 67442852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).