7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one

C16H17NO — CID 163249662

IUPAC7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1=CC(c2ccc3c(c2)NC(=O)CC3)=CCC1
InChIInChI=1S/C16H17NO/c1-11-3-2-4-13(9-11)14-6-5-12-7-8-16(18)17-15(12)10-14/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyXHEWGULGBRPHNP-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.69
Rot. Bonds1

About 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one

7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 163249662) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID163249662
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1=CC(c2ccc3c(c2)NC(=O)CC3)=CCC1
InChIInChI=1S/C16H17NO/c1-11-3-2-4-13(9-11)14-6-5-12-7-8-16(18)17-15(12)10-14/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyXHEWGULGBRPHNP-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 57076404
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 117312766
7-(isocyanatomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117290752
7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 166339504
6-(2-chloro-3-methylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 167292467
1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid
CID 117435901
7-cycloheptyloxy-3,4-dihydro-1H-quinolin-2-one
CID 114940056
7-[2-(1-aminocyclopropyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 105488328
6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 166047857
7-[(3-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940176

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 163249662) is 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one is CC1=CC(c2ccc3c(c2)NC(=O)CC3)=CCC1.
What is the InChIKey of 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XHEWGULGBRPHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-3-2-4-13(9-11)14-6-5-12-7-8-16(18)17-15(12)10-14/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,18).
What are the key properties of 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one?
7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 239.32 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 163249662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).