[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

C29H29N3O4 — CID 6524520

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
SMILESCc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C29H29N3O4/c1-18-10-12-19(13-11-18)16-20-14-15-23-26(22-8-4-5-9-24(22)31-27(20)23)28(34)36-17-25(33)32-29(35)30-21-6-2-3-7-21/h4-5,8-13,16,21H,2-3,6-7,14-15,17H2,1H3,(H2,30,32,33,35)/b20-16+
InChIKeyOCHQDOKWMZXGNE-CAPFRKAQSA-N
MW483.57 g/mol
LogP4.96
Rot. Bonds5

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (PubChem CID 6524520) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
PubChem CID6524520
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
SMILESCc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C29H29N3O4/c1-18-10-12-19(13-11-18)16-20-14-15-23-26(22-8-4-5-9-24(22)31-27(20)23)28(34)36-17-25(33)32-29(35)30-21-6-2-3-7-21/h4-5,8-13,16,21H,2-3,6-7,14-15,17H2,1H3,(H2,30,32,33,35)/b20-16+
InChIKeyOCHQDOKWMZXGNE-CAPFRKAQSA-N
XLogP4.96
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 5001022
[2-(carbamoylamino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6213343
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789162
(2-morpholin-4-yl-2-oxoethyl) (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6515861
[2-(ethylamino)-2-oxoethyl] (3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 92934183
(2-methoxy-2-oxoethyl) (3E)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 16568709
(2-methoxy-2-oxoethyl) (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 135686790
[2-(ethylamino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6213342
[2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 4554981
[2-(cyclopropylamino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6018077
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3E)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6532481
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 16534722

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (CID 6524520) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
The InChIKey is OCHQDOKWMZXGNE-CAPFRKAQSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-18-10-12-19(13-11-18)16-20-14-15-23-26(22-8-4-5-9-24(22)31-27(20)23)28(34)36-17-25(33)32-29(35)30-21-6-2-3-7-21/h4-5,8-13,16,21H,2-3,6-7,14-15,17H2,1H3,(H2,30,32,33,35)/b20-16+.
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate has a molecular weight of 483.57 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 6524520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).