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

C17H18N2O — CID 24696437

IUPACN-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCc3ccccc3N2)cc1
InChIInChI=1S/C17H18N2O/c1-12-6-9-14(10-7-12)18-17(20)16-11-8-13-4-2-3-5-15(13)19-16/h2-7,9-10,16,19H,8,11H2,1H3,(H,18,20)
InChIKeyGVKSJPKEASZXRI-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.36
Rot. Bonds2

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

N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 24696437) 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-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID24696437
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCc3ccccc3N2)cc1
InChIInChI=1S/C17H18N2O/c1-12-6-9-14(10-7-12)18-17(20)16-11-8-13-4-2-3-5-15(13)19-16/h2-7,9-10,16,19H,8,11H2,1H3,(H,18,20)
InChIKeyGVKSJPKEASZXRI-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 24696437) is N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is Cc1ccc(NC(=O)C2CCc3ccccc3N2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is GVKSJPKEASZXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-6-9-14(10-7-12)18-17(20)16-11-8-13-4-2-3-5-15(13)19-16/h2-7,9-10,16,19H,8,11H2,1H3,(H,18,20).
What are the key properties of N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.36, 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-2-carboxamide is sourced from PubChem (CID 24696437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).