4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

C14H17NO — CID 19707345

IUPAC4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CCC2c3ccccc3CCC21
InChIInChI=1S/C14H17NO/c1-15-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-5,12-13H,6-9H2,1H3
InChIKeyGREXNIICGIQJBG-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.34
Rot. Bonds

About 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (PubChem CID 19707345) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
PubChem CID19707345
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CCC2c3ccccc3CCC21
InChIInChI=1S/C14H17NO/c1-15-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-5,12-13H,6-9H2,1H3
InChIKeyGREXNIICGIQJBG-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (CID 19707345) is 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is CN1C(=O)CCC2c3ccccc3CCC21.
What is the InChIKey of 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is GREXNIICGIQJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-15-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-5,12-13H,6-9H2,1H3.
What are the key properties of 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 215.30 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 19707345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).