N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C22H20N2O2 — CID 166234926

IUPACN-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C22H20N2O2/c25-22(17-12-13-19-16(15-17)7-6-14-23-19)24-20-10-4-5-11-21(20)26-18-8-2-1-3-9-18/h1-5,8-13,15,23H,6-7,14H2,(H,24,25)
InChIKeyKWWIVFNMPCVPLS-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.09
Rot. Bonds4

About N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 166234926) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID166234926
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C22H20N2O2/c25-22(17-12-13-19-16(15-17)7-6-14-23-19)24-20-10-4-5-11-21(20)26-18-8-2-1-3-9-18/h1-5,8-13,15,23H,6-7,14H2,(H,24,25)
InChIKeyKWWIVFNMPCVPLS-UHFFFAOYSA-N
XLogP5.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325639
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
N-(2-phenoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348573
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 166234926) is N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is KWWIVFNMPCVPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-22(17-12-13-19-16(15-17)7-6-14-23-19)24-20-10-4-5-11-21(20)26-18-8-2-1-3-9-18/h1-5,8-13,15,23H,6-7,14H2,(H,24,25).
What are the key properties of N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 166234926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).