N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide

C20H23BrN2O — CID 166351398

IUPACN-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Br)c2C)c2c(c1)C(C)CCN2
InChIInChI=1S/C20H23BrN2O/c1-12-9-16-13(2)7-8-22-19(16)17(10-12)20(24)23-11-15-5-4-6-18(21)14(15)3/h4-6,9-10,13,22H,7-8,11H2,1-3H3,(H,23,24)
InChIKeyAEEJKEHOWQJXJM-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.92
Rot. Bonds3

About N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 166351398) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID166351398
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC NameN-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Br)c2C)c2c(c1)C(C)CCN2
InChIInChI=1S/C20H23BrN2O/c1-12-9-16-13(2)7-8-22-19(16)17(10-12)20(24)23-11-15-5-4-6-18(21)14(15)3/h4-6,9-10,13,22H,7-8,11H2,1-3H3,(H,23,24)
InChIKeyAEEJKEHOWQJXJM-UHFFFAOYSA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351440
4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351384
4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 167954493
N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide
CID 138024430
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 56766062
3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
2-bromo-N-[(2-methyl-3-nitrophenyl)methyl]benzamide
CID 103110629
5-methyl-2-(methylamino)-N-[(2-methylphenyl)methyl]benzamide
CID 62509176
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 166351398) is N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide is Cc1cc(C(=O)NCc2cccc(Br)c2C)c2c(c1)C(C)CCN2.
What is the InChIKey of N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is AEEJKEHOWQJXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O/c1-12-9-16-13(2)7-8-22-19(16)17(10-12)20(24)23-11-15-5-4-6-18(21)14(15)3/h4-6,9-10,13,22H,7-8,11H2,1-3H3,(H,23,24).
What are the key properties of N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 387.32 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 166351398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).