N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C16H15ClN2O2 — CID 18427606

IUPACN-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C16H15ClN2O2/c17-12-6-2-4-8-14(12)19-16(21)11-9-18-13-7-3-1-5-10(13)15(11)20/h2,4,6,8-9H,1,3,5,7H2,(H,18,20)(H,19,21)
InChIKeyMGJGHUJODVTNKY-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.16
Rot. Bonds2

About N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 18427606) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID18427606
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C16H15ClN2O2/c17-12-6-2-4-8-14(12)19-16(21)11-9-18-13-7-3-1-5-10(13)15(11)20/h2,4,6,8-9H,1,3,5,7H2,(H,18,20)(H,19,21)
InChIKeyMGJGHUJODVTNKY-UHFFFAOYSA-N
XLogP3.16
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 18427606) is N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(Nc1ccccc1Cl)c1c[nH]c2c(c1=O)CCCC2.
What is the InChIKey of N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is MGJGHUJODVTNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-6-2-4-8-14(12)19-16(21)11-9-18-13-7-3-1-5-10(13)15(11)20/h2,4,6,8-9H,1,3,5,7H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18427606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).