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

C17H17BrN2O — CID 82747600

IUPACN-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cccc3c2CCCN3)c1
InChIInChI=1S/C17H17BrN2O/c1-11-7-8-14(18)16(10-11)20-17(21)13-4-2-6-15-12(13)5-3-9-19-15/h2,4,6-8,10,19H,3,5,9H2,1H3,(H,20,21)
InChIKeySHMPAAMQMKGVIS-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.37
Rot. Bonds2

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

N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 82747600) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID82747600
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC NameN-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cccc3c2CCCN3)c1
InChIInChI=1S/C17H17BrN2O/c1-11-7-8-14(18)16(10-11)20-17(21)13-4-2-6-15-12(13)5-3-9-19-15/h2,4,6-8,10,19H,3,5,9H2,1H3,(H,20,21)
InChIKeySHMPAAMQMKGVIS-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
N-(2-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 103867045
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710
N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107463094
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
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-5-yl)benzamide
CID 106500914
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzamide
CID 18071557
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 82747600) is N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is Cc1ccc(Br)c(NC(=O)c2cccc3c2CCCN3)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is SHMPAAMQMKGVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11-7-8-14(18)16(10-11)20-17(21)13-4-2-6-15-12(13)5-3-9-19-15/h2,4,6-8,10,19H,3,5,9H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 82747600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).