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

C17H18N2O — CID 62850225

IUPACN-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2CCCN3)cc1
InChIInChI=1S/C17H18N2O/c1-12-7-9-13(10-8-12)19-17(20)15-4-2-6-16-14(15)5-3-11-18-16/h2,4,6-10,18H,3,5,11H2,1H3,(H,19,20)
InChIKeyCMODUTUXYMCRSN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.61
Rot. Bonds2

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

N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62850225) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62850225
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2CCCN3)cc1
InChIInChI=1S/C17H18N2O/c1-12-7-9-13(10-8-12)19-17(20)15-4-2-6-16-14(15)5-3-11-18-16/h2,4,6-10,18H,3,5,11H2,1H3,(H,19,20)
InChIKeyCMODUTUXYMCRSN-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 82747600
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 120983084
N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
CID 120983099
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 103094226
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954686

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62850225) is N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is Cc1ccc(NC(=O)c2cccc3c2CCCN3)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is CMODUTUXYMCRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-7-9-13(10-8-12)19-17(20)15-4-2-6-16-14(15)5-3-11-18-16/h2,4,6-10,18H,3,5,11H2,1H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62850225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).