(3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C28H24N4O3 — CID 55552990

About (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

(3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 55552990) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

• Compound Name: (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
• PubChem CID: 55552990
• Molecular Formula: C28H24N4O3
• Molecular Weight: 464.53 g/mol
• Exact Mass: 464.18
• IUPAC Name: (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
• SMILES: COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cccc(NC(N)=O)c2)cc1
• InChI: InChI=1S/C28H24N4O3/c1-35-21-12-9-17(10-13-21)15-18-11-14-23-25(22-7-2-3-8-24(22)32-26(18)23)27(33)30-19-5-4-6-20(16-19)31-28(29)34/h2-10,12-13,15-16H,11,14H2,1H3,(H,30,33)(H3,29,31,34)/b18-15+
• InChIKey: MQUWMTQTSKVGQF-OBGWFSINSA-N
• XLogP: 5.47
• TPSA: 106.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.53
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The IUPAC name of (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 55552990) is (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

What is the SMILES notation for (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The canonical SMILES for (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cccc(NC(N)=O)c2)cc1.

What is the InChIKey of (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The InChIKey is MQUWMTQTSKVGQF-OBGWFSINSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-35-21-12-9-17(10-13-21)15-18-11-14-23-25(22-7-2-3-8-24(22)32-26(18)23)27(33)30-19-5-4-6-20(16-19)31-28(29)34/h2-10,12-13,15-16H,11,14H2,1H3,(H,30,33)(H3,29,31,34)/b18-15+.

What are the key properties of (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

(3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 5.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 55552990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).