2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one

C13H13NO — CID 71370522

IUPAC2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one
SMILESO=C1CCNC2=c3ccccc3=CCC12
InChIInChI=1S/C13H13NO/c15-12-7-8-14-13-10-4-2-1-3-9(10)5-6-11(12)13/h1-5,11,14H,6-8H2
InChIKeyQMLSFJQJLYJWJH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.16
Rot. Bonds

About 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one

2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one (PubChem CID 71370522) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one.

Molecular Properties

Compound Name2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one
PubChem CID71370522
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one
SMILESO=C1CCNC2=c3ccccc3=CCC12
InChIInChI=1S/C13H13NO/c15-12-7-8-14-13-10-4-2-1-3-9(10)5-6-11(12)13/h1-5,11,14H,6-8H2
InChIKeyQMLSFJQJLYJWJH-UHFFFAOYSA-N
XLogP0.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one?
The IUPAC name of 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one (CID 71370522) is 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one.
What is the SMILES notation for 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one?
The canonical SMILES for 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one is O=C1CCNC2=c3ccccc3=CCC12.
What is the InChIKey of 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one?
The InChIKey is QMLSFJQJLYJWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-12-7-8-14-13-10-4-2-1-3-9(10)5-6-11(12)13/h1-5,11,14H,6-8H2.
What are the key properties of 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one?
2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one has a molecular weight of 199.25 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5-tetrahydro-1H-benzo[h]quinolin-4-one is sourced from PubChem (CID 71370522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).