N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C16H16N2O — CID 46531624

IUPACN-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESC=CCNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C16H16N2O/c1-2-10-17-16(19)15-11-6-3-4-8-13(11)18-14-9-5-7-12(14)15/h2-4,6,8H,1,5,7,9-10H2,(H,17,19)
InChIKeyJDUQKDPRINIDKS-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.64
Rot. Bonds3

About N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 46531624) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID46531624
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESC=CCNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C16H16N2O/c1-2-10-17-16(19)15-11-6-3-4-8-13(11)18-14-9-5-7-12(14)15/h2-4,6,8H,1,5,7,9-10H2,(H,17,19)
InChIKeyJDUQKDPRINIDKS-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 75401963
methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
CID 51126378
N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 86293233
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
CID 7434626
propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate
CID 166216570
N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
CID 3087110
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
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 21239903

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 46531624) is N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is C=CCNC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is JDUQKDPRINIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-10-17-16(19)15-11-6-3-4-8-13(11)18-14-9-5-7-12(14)15/h2-4,6,8H,1,5,7,9-10H2,(H,17,19).
What are the key properties of N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 46531624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).