4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide

C16H17N3O2 — CID 81108990

IUPAC4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2CCCc3[nH]c(=O)ccc32)cc1
InChIInChI=1S/C16H17N3O2/c17-16(21)10-4-6-11(7-5-10)18-13-2-1-3-14-12(13)8-9-15(20)19-14/h4-9,13,18H,1-3H2,(H2,17,21)(H,19,20)
InChIKeyFHBKDJHDMNXPBK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.96
Rot. Bonds3

About 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide

4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide (PubChem CID 81108990) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide
PubChem CID81108990
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2CCCc3[nH]c(=O)ccc32)cc1
InChIInChI=1S/C16H17N3O2/c17-16(21)10-4-6-11(7-5-10)18-13-2-1-3-14-12(13)8-9-15(20)19-14/h4-9,13,18H,1-3H2,(H2,17,21)(H,19,20)
InChIKeyFHBKDJHDMNXPBK-UHFFFAOYSA-N
XLogP1.96
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide?
The IUPAC name of 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide (CID 81108990) is 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide.
What is the SMILES notation for 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide?
The canonical SMILES for 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide is NC(=O)c1ccc(NC2CCCc3[nH]c(=O)ccc32)cc1.
What is the InChIKey of 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide?
The InChIKey is FHBKDJHDMNXPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-16(21)10-4-6-11(7-5-10)18-13-2-1-3-14-12(13)8-9-15(20)19-14/h4-9,13,18H,1-3H2,(H2,17,21)(H,19,20).
What are the key properties of 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide?
4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide is sourced from PubChem (CID 81108990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).