[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

C29H30N2O4 — CID 135733891

About [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (PubChem CID 135733891) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

• Compound Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• PubChem CID: 135733891
• Molecular Formula: C29H30N2O4
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.22
• IUPAC Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• SMILES: CCCN(CC1CC1)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2
• InChI: InChI=1S/C29H30N2O4/c1-2-15-31(17-20-7-8-20)26(33)18-35-29(34)27-23-5-3-4-6-25(23)30-28-21(11-14-24(27)28)16-19-9-12-22(32)13-10-19/h3-6,9-10,12-13,16,20,32H,2,7-8,11,14-15,17-18H2,1H3/b21-16+
• InChIKey: SWWNPZIUJLJIIY-LTGZKZEYSA-N
• XLogP: 5.23
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The IUPAC name of [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (CID 135733891) is [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

What is the SMILES notation for [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The canonical SMILES for [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is CCCN(CC1CC1)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2.

What is the InChIKey of [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The InChIKey is SWWNPZIUJLJIIY-LTGZKZEYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-2-15-31(17-20-7-8-20)26(33)18-35-29(34)27-23-5-3-4-6-25(23)30-28-21(11-14-24(27)28)16-19-9-12-22(32)13-10-19/h3-6,9-10,12-13,16,20,32H,2,7-8,11,14-15,17-18H2,1H3/b21-16+.

What are the key properties of [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate has a molecular weight of 470.57 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] (3E)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 135733891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).