6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C17H17NO3 — CID 134425374

IUPAC6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1C(C)C2
InChIInChI=1S/C17H17NO3/c1-9-4-12-6-11(3)18-8-14(17(20)21)16(19)7-15(18)13(12)5-10(9)2/h4-5,7-8,11H,6H2,1-3H3,(H,20,21)
InChIKeyMYDMAEWPHUIUTM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.95
Rot. Bonds1

About 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 134425374) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID134425374
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1C(C)C2
InChIInChI=1S/C17H17NO3/c1-9-4-12-6-11(3)18-8-14(17(20)21)16(19)7-15(18)13(12)5-10(9)2/h4-5,7-8,11H,6H2,1-3H3,(H,20,21)
InChIKeyMYDMAEWPHUIUTM-UHFFFAOYSA-N
XLogP2.95
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 134425374) is 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is Cc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1C(C)C2.
What is the InChIKey of 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is MYDMAEWPHUIUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-9-4-12-6-11(3)18-8-14(17(20)21)16(19)7-15(18)13(12)5-10(9)2/h4-5,7-8,11H,6H2,1-3H3,(H,20,21).
What are the key properties of 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,10-trimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 134425374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).