N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C16H15ClN2O — CID 106901173

IUPACN-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CNc2ccccc2C1
InChIInChI=1S/C16H15ClN2O/c17-13-5-3-6-14(9-13)19-16(20)12-8-11-4-1-2-7-15(11)18-10-12/h1-7,9,12,18H,8,10H2,(H,19,20)
InChIKeyXBMKNQDTEPSDEF-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.56
Rot. Bonds2

About N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901173) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901173
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CNc2ccccc2C1
InChIInChI=1S/C16H15ClN2O/c17-13-5-3-6-14(9-13)19-16(20)12-8-11-4-1-2-7-15(11)18-10-12/h1-7,9,12,18H,8,10H2,(H,19,20)
InChIKeyXBMKNQDTEPSDEF-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901161
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901165
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901584
N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901274
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901707
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-(2-bromo-4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901205
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 136542533
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901173) is N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CNc2ccccc2C1.
What is the InChIKey of N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is XBMKNQDTEPSDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-5-3-6-14(9-13)19-16(20)12-8-11-4-1-2-7-15(11)18-10-12/h1-7,9,12,18H,8,10H2,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).