(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C20H16N2O3 — CID 75401713

IUPAC(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESNC(=O)c1ccc(OC(=O)c2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C20H16N2O3/c21-19(23)12-8-10-13(11-9-12)25-20(24)18-14-4-1-2-6-16(14)22-17-7-3-5-15(17)18/h1-2,4,6,8-11H,3,5,7H2,(H2,21,23)
InChIKeyICQGTAXKBAHDGF-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.04
Rot. Bonds3

About (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 75401713) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID75401713
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESNC(=O)c1ccc(OC(=O)c2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C20H16N2O3/c21-19(23)12-8-10-13(11-9-12)25-20(24)18-14-4-1-2-6-16(14)22-17-7-3-5-15(17)18/h1-2,4,6,8-11H,3,5,7H2,(H2,21,23)
InChIKeyICQGTAXKBAHDGF-UHFFFAOYSA-N
XLogP3.04
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2652516
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
[2-oxo-2-(4-phenylphenyl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2282653
2-(4-methoxyphenyl)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839905
2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 5021618
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 51909572
2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4209036
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
[2-(4-ethylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3394606
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
(4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2518632

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 75401713) is (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is NC(=O)c1ccc(OC(=O)c2c3c(nc4ccccc24)CCC3)cc1.
What is the InChIKey of (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is ICQGTAXKBAHDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c21-19(23)12-8-10-13(11-9-12)25-20(24)18-14-4-1-2-6-16(14)22-17-7-3-5-15(17)18/h1-2,4,6,8-11H,3,5,7H2,(H2,21,23).
What are the key properties of (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 75401713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).