N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide

C19H20N2O2 — CID 134076221

IUPACN-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide
SMILESC=CCn1c2c(ccc1=O)CC(NC(=O)c1ccccc1)CC2
InChIInChI=1S/C19H20N2O2/c1-2-12-21-17-10-9-16(13-15(17)8-11-18(21)22)20-19(23)14-6-4-3-5-7-14/h2-8,11,16H,1,9-10,12-13H2,(H,20,23)
InChIKeyDNPCDQSOSAFJAQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.32
Rot. Bonds4

About N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide

N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide (PubChem CID 134076221) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide
PubChem CID134076221
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide
SMILESC=CCn1c2c(ccc1=O)CC(NC(=O)c1ccccc1)CC2
InChIInChI=1S/C19H20N2O2/c1-2-12-21-17-10-9-16(13-15(17)8-11-18(21)22)20-19(23)14-6-4-3-5-7-14/h2-8,11,16H,1,9-10,12-13H2,(H,20,23)
InChIKeyDNPCDQSOSAFJAQ-UHFFFAOYSA-N
XLogP2.32
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide
CID 131659491
N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide
CID 97389951
3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide
CID 118740731
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 118739005
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131683102
N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131682929
N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 97389930
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
2-[(3R)-3-benzamido-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66812101
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
(2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide
CID 97389922

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide?
The IUPAC name of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide (CID 134076221) is N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide.
What is the SMILES notation for N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide?
The canonical SMILES for N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide is C=CCn1c2c(ccc1=O)CC(NC(=O)c1ccccc1)CC2.
What is the InChIKey of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide?
The InChIKey is DNPCDQSOSAFJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-12-21-17-10-9-16(13-15(17)8-11-18(21)22)20-19(23)14-6-4-3-5-7-14/h2-8,11,16H,1,9-10,12-13H2,(H,20,23).
What are the key properties of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide?
N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide has a molecular weight of 308.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide is sourced from PubChem (CID 134076221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).