4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one

C16H16N2O — CID 13308582

IUPAC4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCN1C(=O)c2ccccc2C(N)C1c1ccccc1
InChIInChI=1S/C16H16N2O/c1-18-15(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)16(18)19/h2-10,14-15H,17H2,1H3
InChIKeyDJFKEDGMUKFZFG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.51
Rot. Bonds1

About 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one

4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one (PubChem CID 13308582) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
PubChem CID13308582
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCN1C(=O)c2ccccc2C(N)C1c1ccccc1
InChIInChI=1S/C16H16N2O/c1-18-15(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)16(18)19/h2-10,14-15H,17H2,1H3
InChIKeyDJFKEDGMUKFZFG-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(3S,4R)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate
CID 97264449
(3S,4R)-2-methyl-1-oxo-3-phenyl-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51718468
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099
N-(4-methoxyphenyl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 56727777
methyl 3-[[(3S,4R)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carbonyl]amino]propanoate
CID 97266479
(3R,4R)-4-hydroxy-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 139206283
(3S,4R)-3-(2-chlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 94071375
(3S,4R)-2-methyl-1-oxo-3-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydroisoquinoline-4-carboxamide
CID 51718724
3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
CID 132524924
2,3-dimethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 82579599
(3R,4S)-N-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 51717857
(3S,4S)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 87988059

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one (CID 13308582) is 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one is CN1C(=O)c2ccccc2C(N)C1c1ccccc1.
What is the InChIKey of 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is DJFKEDGMUKFZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18-15(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)16(18)19/h2-10,14-15H,17H2,1H3.
What are the key properties of 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one?
4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 252.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 13308582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).