cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

C32H36N2O3 — CID 5252635

IUPACcyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SMILESCCn1c2ccccc2c2cc(C3C(C(=O)OC4CCCC4)=C(C)NC4=C3C(=O)CC(C)(C)C4)ccc21
InChIInChI=1S/C32H36N2O3/c1-5-34-25-13-9-8-12-22(25)23-16-20(14-15-26(23)34)29-28(31(36)37-21-10-6-7-11-21)19(2)33-24-17-32(3,4)18-27(35)30(24)29/h8-9,12-16,21,29,33H,5-7,10-11,17-18H2,1-4H3
InChIKeyGRUSXSPAVBLOMM-UHFFFAOYSA-N
MW496.65 g/mol
LogP6.90
Rot. Bonds4

About cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate (PubChem CID 5252635) has the molecular formula C32H36N2O3 and a molecular weight of 496.65 g/mol. Its IUPAC name is cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
PubChem CID5252635
Molecular FormulaC32H36N2O3
Molecular Weight496.65 g/mol
Exact Mass496.27
IUPAC Namecyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SMILESCCn1c2ccccc2c2cc(C3C(C(=O)OC4CCCC4)=C(C)NC4=C3C(=O)CC(C)(C)C4)ccc21
InChIInChI=1S/C32H36N2O3/c1-5-34-25-13-9-8-12-22(25)23-16-20(14-15-26(23)34)29-28(31(36)37-21-10-6-7-11-21)19(2)33-24-17-32(3,4)18-27(35)30(24)29/h8-9,12-16,21,29,33H,5-7,10-11,17-18H2,1-4H3
InChIKeyGRUSXSPAVBLOMM-UHFFFAOYSA-N
XLogP6.90
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate with MolForge

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Related Compounds

cyclopentyl (4R)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1354002
cyclopentyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3105890
cyclohexyl (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1268621
cyclopentyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 2846967
cycloheptyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3887647
2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51419651
cyclopentyl (4R)-4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1049346
cyclohexyl 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 2869787
cyclopentyl 2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 2855886
cyclopentyl (4R)-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 981428
cyclopentyl (4R)-4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1099665
cyclopentyl 2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 2872981

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate (CID 5252635) is cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate is CCn1c2ccccc2c2cc(C3C(C(=O)OC4CCCC4)=C(C)NC4=C3C(=O)CC(C)(C)C4)ccc21.
What is the InChIKey of cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is GRUSXSPAVBLOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O3/c1-5-34-25-13-9-8-12-22(25)23-16-20(14-15-26(23)34)29-28(31(36)37-21-10-6-7-11-21)19(2)33-24-17-32(3,4)18-27(35)30(24)29/h8-9,12-16,21,29,33H,5-7,10-11,17-18H2,1-4H3.
What are the key properties of cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 496.65 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 5252635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).