4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide

C25H21Cl2N3O3 — CID 76878568

IUPAC4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2c3c(nc4ccccc24)C(=Cc2ccc(Cl)c(Cl)c2)CC3)CCO1
InChIInChI=1S/C25H21Cl2N3O3/c26-18-8-5-14(12-19(18)27)11-15-6-7-17-22(16-3-1-2-4-20(16)29-23(15)17)25(32)30-9-10-33-21(13-30)24(28)31/h1-5,8,11-12,21H,6-7,9-10,13H2,(H2,28,31)
InChIKeyRWQKIKRAECQYIW-UHFFFAOYSA-N
MW482.37 g/mol
LogP4.35
Rot. Bonds3

About 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide

4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide (PubChem CID 76878568) has the molecular formula C25H21Cl2N3O3 and a molecular weight of 482.37 g/mol. Its IUPAC name is 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide
PubChem CID76878568
Molecular FormulaC25H21Cl2N3O3
Molecular Weight482.37 g/mol
Exact Mass481.10
IUPAC Name4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2c3c(nc4ccccc24)C(=Cc2ccc(Cl)c(Cl)c2)CC3)CCO1
InChIInChI=1S/C25H21Cl2N3O3/c26-18-8-5-14(12-19(18)27)11-15-6-7-17-22(16-3-1-2-4-20(16)29-23(15)17)25(32)30-9-10-33-21(13-30)24(28)31/h1-5,8,11-12,21H,6-7,9-10,13H2,(H2,28,31)
InChIKeyRWQKIKRAECQYIW-UHFFFAOYSA-N
XLogP4.35
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide?
The IUPAC name of 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide (CID 76878568) is 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)c2c3c(nc4ccccc24)C(=Cc2ccc(Cl)c(Cl)c2)CC3)CCO1.
What is the InChIKey of 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide?
The InChIKey is RWQKIKRAECQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O3/c26-18-8-5-14(12-19(18)27)11-15-6-7-17-22(16-3-1-2-4-20(16)29-23(15)17)25(32)30-9-10-33-21(13-30)24(28)31/h1-5,8,11-12,21H,6-7,9-10,13H2,(H2,28,31).
What are the key properties of 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide?
4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide has a molecular weight of 482.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 76878568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).