N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide

C17H16N2O2 — CID 2160596

IUPACN-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16(14-8-2-1-3-9-14)18-17(21)19-12-6-10-13-7-4-5-11-15(13)19/h1-5,7-9,11H,6,10,12H2,(H,18,20,21)
InChIKeySCSJKQDOFMUUTI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.99
Rot. Bonds1

About N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide

N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 2160596) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID2160596
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16(14-8-2-1-3-9-14)18-17(21)19-12-6-10-13-7-4-5-11-15(13)19/h1-5,7-9,11H,6,10,12H2,(H,18,20,21)
InChIKeySCSJKQDOFMUUTI-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 2160596) is N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NC(=O)N1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is SCSJKQDOFMUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16(14-8-2-1-3-9-14)18-17(21)19-12-6-10-13-7-4-5-11-15(13)19/h1-5,7-9,11H,6,10,12H2,(H,18,20,21).
What are the key properties of N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide?
N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 2160596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).