2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide

C13H13N3O — CID 14385689

IUPAC2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
SMILESNNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C13H13N3O/c14-16-13(17)12-8-4-1-2-6-10(8)15-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7,14H2,(H,16,17)
InChIKeyKSYXFTMODNVSOA-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.33
Rot. Bonds1

About 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide

2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide (PubChem CID 14385689) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide.

Molecular Properties

Compound Name2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
PubChem CID14385689
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
SMILESNNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C13H13N3O/c14-16-13(17)12-8-4-1-2-6-10(8)15-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7,14H2,(H,16,17)
InChIKeyKSYXFTMODNVSOA-UHFFFAOYSA-N
XLogP1.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46531624
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate
CID 166216570
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 75401963
N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247855
N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3411008
methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
CID 51126378
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide?
The IUPAC name of 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide (CID 14385689) is 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide.
What is the SMILES notation for 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide?
The canonical SMILES for 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide is NNC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide?
The InChIKey is KSYXFTMODNVSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-16-13(17)12-8-4-1-2-6-10(8)15-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7,14H2,(H,16,17).
What are the key properties of 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide?
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide has a molecular weight of 227.27 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide is sourced from PubChem (CID 14385689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).