N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C17H20N2O — CID 63929364

IUPACN-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)C1CC2C=CC1C2
InChIInChI=1S/C17H20N2O/c20-17(15-9-11-3-4-13(15)8-11)19-14-6-5-12-2-1-7-18-16(12)10-14/h3-6,10-11,13,15,18H,1-2,7-9H2,(H,19,20)
InChIKeyYCQFXVHWADIIBJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.20
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 63929364) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID63929364
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)C1CC2C=CC1C2
InChIInChI=1S/C17H20N2O/c20-17(15-9-11-3-4-13(15)8-11)19-14-6-5-12-2-1-7-18-16(12)10-14/h3-6,10-11,13,15,18H,1-2,7-9H2,(H,19,20)
InChIKeyYCQFXVHWADIIBJ-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropane-1-carboxamide
CID 63928713
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide
CID 107180778
5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide
CID 81485613
5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
CID 24704021
(2R)-N-(1,2,3,4-tetrahydroquinolin-7-yl)oxolane-2-carboxamide
CID 104856288
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
(1R,2R,4S)-N-(3-cyanophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98368145
(1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98145298
2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 63931236
N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929977

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 63929364) is N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1ccc2c(c1)NCCC2)C1CC2C=CC1C2.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is YCQFXVHWADIIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(15-9-11-3-4-13(15)8-11)19-14-6-5-12-2-1-7-18-16(12)10-14/h3-6,10-11,13,15,18H,1-2,7-9H2,(H,19,20).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 63929364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).