4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one

C14H15NO — CID 12969972

IUPAC4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1C(=O)C=CN2c3ccccc3CCC12
InChIInChI=1S/C14H15NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5,8-10,12H,6-7H2,1H3
InChIKeyFBWAJLPTZNQDAJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.54
Rot. Bonds

About 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one

4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 12969972) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID12969972
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1C(=O)C=CN2c3ccccc3CCC12
InChIInChI=1S/C14H15NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5,8-10,12H,6-7H2,1H3
InChIKeyFBWAJLPTZNQDAJ-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 12969972) is 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1C(=O)C=CN2c3ccccc3CCC12.
What is the InChIKey of 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is FBWAJLPTZNQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5,8-10,12H,6-7H2,1H3.
What are the key properties of 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one?
4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 213.28 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 12969972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).