3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one

C20H15NO — CID 102280942

IUPAC3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one
SMILESCc1c(-c2ccccc2)c2ccc3ccccc3c2[nH]c1=O
InChIInChI=1S/C20H15NO/c1-13-18(15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)19(17)21-20(13)22/h2-12H,1H3,(H,21,22)
InChIKeyVABDOXUJMFMQFJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.66
Rot. Bonds1

About 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one

3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one (PubChem CID 102280942) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one
PubChem CID102280942
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one
SMILESCc1c(-c2ccccc2)c2ccc3ccccc3c2[nH]c1=O
InChIInChI=1S/C20H15NO/c1-13-18(15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)19(17)21-20(13)22/h2-12H,1H3,(H,21,22)
InChIKeyVABDOXUJMFMQFJ-UHFFFAOYSA-N
XLogP4.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-1-Pyrenylacetamide
CID 255653
Acetamide, N-1-naphthalenyl-
CID 68461
N-(1-pyrenyl)maleimide
CID 626783
Benzamide, N-(1-naphthyl)-4-methyl-
CID 531834
N-1-Naphthylbenzamide
CID 69448
N-(1-Naphthyl)hexanamide
CID 532117
Acetamide, N-(9,10-dihydro-2-phenanthryl)-
CID 28996
N-(2-Naphthyl)-1-naphthalenecarboxamide
CID 224149
7-(2-Fluorophenyl)-4-Methylquinolin-2(1h)-One
CID 71576800
N-(naphthalen-1-yl)propanamide
CID 307009
N-(1-Naphthyl)acrylamide
CID 21983169
N-Hydroxy-3-naphthalen-2-yl-N-phenyl-acrylamide
CID 13687213

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one?
The IUPAC name of 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one (CID 102280942) is 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one is Cc1c(-c2ccccc2)c2ccc3ccccc3c2[nH]c1=O.
What is the InChIKey of 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one?
The InChIKey is VABDOXUJMFMQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-13-18(15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)19(17)21-20(13)22/h2-12H,1H3,(H,21,22).
What are the key properties of 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one?
3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one has a molecular weight of 285.35 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 102280942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).