2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide

C16H16N2O — CID 54522856

IUPAC2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESNC(=O)C1CCCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C16H16N2O/c17-16(19)13-7-4-8-15-12(13)9-10-14(18-15)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H2,17,19)
InChIKeyYRBBEPMJYUDCMJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds2

About 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide

2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide (PubChem CID 54522856) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide
PubChem CID54522856
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESNC(=O)C1CCCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C16H16N2O/c17-16(19)13-7-4-8-15-12(13)9-10-14(18-15)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H2,17,19)
InChIKeyYRBBEPMJYUDCMJ-UHFFFAOYSA-N
XLogP2.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The IUPAC name of 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide (CID 54522856) is 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide is NC(=O)C1CCCc2nc(-c3ccccc3)ccc21.
What is the InChIKey of 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The InChIKey is YRBBEPMJYUDCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-16(19)13-7-4-8-15-12(13)9-10-14(18-15)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H2,17,19).
What are the key properties of 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide?
2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6,7,8-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 54522856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).