ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate

C22H19ClN2O3 — CID 108786420

IUPACethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C22H19ClN2O3/c1-2-28-22(27)15-6-3-4-8-18(15)25-21(26)20-14-7-5-9-17(14)24-19-11-10-13(23)12-16(19)20/h3-4,6,8,10-12H,2,5,7,9H2,1H3,(H,25,26)
InChIKeyKKESXJZWCNZTGU-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.81
Rot. Bonds4

About ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate

ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate (PubChem CID 108786420) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate
PubChem CID108786420
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Nameethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C22H19ClN2O3/c1-2-28-22(27)15-6-3-4-8-18(15)25-21(26)20-14-7-5-9-17(14)24-19-11-10-13(23)12-16(19)20/h3-4,6,8,10-12H,2,5,7,9H2,1H3,(H,25,26)
InChIKeyKKESXJZWCNZTGU-UHFFFAOYSA-N
XLogP4.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate with MolForge

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Related Compounds

7-chloro-N-(2-hydroxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799537
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256250
7-chloro-N-(2-propan-2-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786414
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
7-chloro-N-(2,6-diethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786468
7-chloro-N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799495
7-chloro-N-(3-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799652
7-chloro-N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786545
7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799640
7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809760
N-(1,3-benzothiazol-2-yl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799492
N-(2-acetamidoethyl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate (CID 108786420) is ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate?
The InChIKey is KKESXJZWCNZTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-2-28-22(27)15-6-3-4-8-18(15)25-21(26)20-14-7-5-9-17(14)24-19-11-10-13(23)12-16(19)20/h3-4,6,8,10-12H,2,5,7,9H2,1H3,(H,25,26).
What are the key properties of ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate?
ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate has a molecular weight of 394.86 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate is sourced from PubChem (CID 108786420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).