N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

C17H18N2O2 — CID 107734701

IUPACN-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN(C(=O)c1cccc2c1CCCN2)c1cccc(O)c1
InChIInChI=1S/C17H18N2O2/c1-19(12-5-2-6-13(20)11-12)17(21)15-7-3-9-16-14(15)8-4-10-18-16/h2-3,5-7,9,11,18,20H,4,8,10H2,1H3
InChIKeyBIRWKZJXQDHEAS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.03
Rot. Bonds2

About N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 107734701) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID107734701
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN(C(=O)c1cccc2c1CCCN2)c1cccc(O)c1
InChIInChI=1S/C17H18N2O2/c1-19(12-5-2-6-13(20)11-12)17(21)15-7-3-9-16-14(15)8-4-10-18-16/h2-3,5-7,9,11,18,20H,4,8,10H2,1H3
InChIKeyBIRWKZJXQDHEAS-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850061
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850263
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
CID 120983095
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100
N-ethyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126597
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 107734701) is N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide is CN(C(=O)c1cccc2c1CCCN2)c1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is BIRWKZJXQDHEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19(12-5-2-6-13(20)11-12)17(21)15-7-3-9-16-14(15)8-4-10-18-16/h2-3,5-7,9,11,18,20H,4,8,10H2,1H3.
What are the key properties of N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 107734701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).