2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C18H20N2O — CID 58142666

IUPAC2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3CN2C)cc1
InChIInChI=1S/C18H20N2O/c1-13-7-9-16(10-8-13)19-18(21)17-11-14-5-3-4-6-15(14)12-20(17)2/h3-10,17H,11-12H2,1-2H3,(H,19,21)
InChIKeyBRCANKISMOMHFB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.99
Rot. Bonds2

About 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 58142666) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID58142666
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3CN2C)cc1
InChIInChI=1S/C18H20N2O/c1-13-7-9-16(10-8-13)19-18(21)17-11-14-5-3-4-6-15(14)12-20(17)2/h3-10,17H,11-12H2,1-2H3,(H,19,21)
InChIKeyBRCANKISMOMHFB-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 18884730
N-[4-(4-methylphenoxy)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 42908475
(3S)-N-(4-methylphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 1079743
(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 59118666
methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 91129001
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
N-[4-[1-[3-(4-chlorophenyl)prop-2-ynoyl]piperidin-4-yl]phenyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 171683367
1-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 97205018
ethyl 2-[(2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]propanoate
CID 110226024
N,N-dimethylmethanamine;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 91526196
(3R)-2-(4-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2320240
(3S)-N-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94072267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 58142666) is 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is Cc1ccc(NC(=O)C2Cc3ccccc3CN2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is BRCANKISMOMHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-7-9-16(10-8-13)19-18(21)17-11-14-5-3-4-6-15(14)12-20(17)2/h3-10,17H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 58142666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).