methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate

C19H22N2O3 — CID 51126378

IUPACmethyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
SMILESCOC(=O)CCCCNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H22N2O3/c1-24-17(22)11-4-5-12-20-19(23)18-13-7-2-3-9-15(13)21-16-10-6-8-14(16)18/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,20,23)
InChIKeyCCCNKGZTYNUXLI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.80
Rot. Bonds6

About methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate

methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate (PubChem CID 51126378) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
PubChem CID51126378
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
SMILESCOC(=O)CCCCNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H22N2O3/c1-24-17(22)11-4-5-12-20-19(23)18-13-7-2-3-9-15(13)21-16-10-6-8-14(16)18/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,20,23)
InChIKeyCCCNKGZTYNUXLI-UHFFFAOYSA-N
XLogP2.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 86293233
N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
CID 3087110
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46541470
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
[2-(3-methoxypropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 9139211
diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
CID 7434626
N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46531624
propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate
CID 166216570
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 75401963
N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 166211166
N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 71896095
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate?
The IUPAC name of methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate (CID 51126378) is methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate.
What is the SMILES notation for methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate?
The canonical SMILES for methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate is COC(=O)CCCCNC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate?
The InChIKey is CCCNKGZTYNUXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-17(22)11-4-5-12-20-19(23)18-13-7-2-3-9-15(13)21-16-10-6-8-14(16)18/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,20,23).
What are the key properties of methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate?
methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate has a molecular weight of 326.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate is sourced from PubChem (CID 51126378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).