1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one

C14H15NO — CID 24974677

IUPAC1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one
SMILESCN1C(=O)CCC2=C1c1ccccc1CC2
InChIInChI=1S/C14H15NO/c1-15-13(16)9-8-11-7-6-10-4-2-3-5-12(10)14(11)15/h2-5H,6-9H2,1H3
InChIKeyPUNRNVBLYJMJNU-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.60
Rot. Bonds

About 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one

1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one (PubChem CID 24974677) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one
PubChem CID24974677
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one
SMILESCN1C(=O)CCC2=C1c1ccccc1CC2
InChIInChI=1S/C14H15NO/c1-15-13(16)9-8-11-7-6-10-4-2-3-5-12(10)14(11)15/h2-5H,6-9H2,1H3
InChIKeyPUNRNVBLYJMJNU-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one?
The IUPAC name of 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one (CID 24974677) is 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one.
What is the SMILES notation for 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one?
The canonical SMILES for 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one is CN1C(=O)CCC2=C1c1ccccc1CC2.
What is the InChIKey of 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one?
The InChIKey is PUNRNVBLYJMJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-13(16)9-8-11-7-6-10-4-2-3-5-12(10)14(11)15/h2-5H,6-9H2,1H3.
What are the key properties of 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one?
1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one is sourced from PubChem (CID 24974677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).