6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride

C19H22ClNO4 — CID 142732991

IUPAC6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride
SMILESCOc1ccc2c(c1)-c1cc(=O)c(C(=O)O)cn1C(C(C)(C)C)C2.Cl
InChIInChI=1S/C19H21NO4.ClH/c1-19(2,3)17-7-11-5-6-12(24-4)8-13(11)15-9-16(21)14(18(22)23)10-20(15)17;/h5-6,8-10,17H,7H2,1-4H3,(H,22,23);1H
InChIKeyHNJDBXHHHJYQKI-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.79
Rot. Bonds2

About 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride

6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride (PubChem CID 142732991) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride
PubChem CID142732991
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride
SMILESCOc1ccc2c(c1)-c1cc(=O)c(C(=O)O)cn1C(C(C)(C)C)C2.Cl
InChIInChI=1S/C19H21NO4.ClH/c1-19(2,3)17-7-11-5-6-12(24-4)8-13(11)15-9-16(21)14(18(22)23)10-20(15)17;/h5-6,8-10,17H,7H2,1-4H3,(H,22,23);1H
InChIKeyHNJDBXHHHJYQKI-UHFFFAOYSA-N
XLogP3.79
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride (CID 142732991) is 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride is COc1ccc2c(c1)-c1cc(=O)c(C(=O)O)cn1C(C(C)(C)C)C2.Cl.
What is the InChIKey of 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride?
The InChIKey is HNJDBXHHHJYQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4.ClH/c1-19(2,3)17-7-11-5-6-12(24-4)8-13(11)15-9-16(21)14(18(22)23)10-20(15)17;/h5-6,8-10,17H,7H2,1-4H3,(H,22,23);1H.
What are the key properties of 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride?
6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride has a molecular weight of 363.84 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 142732991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).