1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one

C16H17NO — CID 11459083

IUPAC1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCc1c(C)n2c(c(C)c1=O)-c1ccccc1CC2
InChIInChI=1S/C16H17NO/c1-10-12(3)17-9-8-13-6-4-5-7-14(13)15(17)11(2)16(10)18/h4-7H,8-9H2,1-3H3
InChIKeyQHJQSHURFBXDQD-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.00
Rot. Bonds

About 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one

1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 11459083) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one
PubChem CID11459083
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCc1c(C)n2c(c(C)c1=O)-c1ccccc1CC2
InChIInChI=1S/C16H17NO/c1-10-12(3)17-9-8-13-6-4-5-7-14(13)15(17)11(2)16(10)18/h4-7H,8-9H2,1-3H3
InChIKeyQHJQSHURFBXDQD-UHFFFAOYSA-N
XLogP3.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one?
The IUPAC name of 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one (CID 11459083) is 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one is Cc1c(C)n2c(c(C)c1=O)-c1ccccc1CC2.
What is the InChIKey of 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one?
The InChIKey is QHJQSHURFBXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-10-12(3)17-9-8-13-6-4-5-7-14(13)15(17)11(2)16(10)18/h4-7H,8-9H2,1-3H3.
What are the key properties of 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one?
1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 239.32 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 11459083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).