6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C17H18N2O3 — CID 123897145

IUPAC6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCNc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1C(C)C2
InChIInChI=1S/C17H18N2O3/c1-9-4-12-11(6-14(9)18-3)5-10(2)19-8-13(17(21)22)16(20)7-15(12)19/h4,6-8,10,18H,5H2,1-3H3,(H,21,22)
InChIKeyWBJMGFLWELLBFF-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.68
Rot. Bonds2

About 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 123897145) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID123897145
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCNc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1C(C)C2
InChIInChI=1S/C17H18N2O3/c1-9-4-12-11(6-14(9)18-3)5-10(2)19-8-13(17(21)22)16(20)7-15(12)19/h4,6-8,10,18H,5H2,1-3H3,(H,21,22)
InChIKeyWBJMGFLWELLBFF-UHFFFAOYSA-N
XLogP2.68
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid with MolForge

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Related Compounds

(6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118261769
(6R)-9-(but-3-enylamino)-10-methoxy-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 126537927
11-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251927
2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid
CID 138524484
18-tert-butyl-6-methyl-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid
CID 146918129
9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
9,10-dimethoxy-2-oxo-6-(trifluoromethyl)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118252085
9-bromo-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 146535093
9,10-dimethoxy-6-(2-methylpropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251729
10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 122457183
(6S)-6-tert-butyl-13-methyl-10-oxo-2,3,5,6-tetrahydro-[1,4]benzodioxino[7,8-a]quinolizine-9-carboxylic acid
CID 153411345
(7R)-3-hydroxy-2-methyl-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 139462160

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 123897145) is 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CNc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1C(C)C2.
What is the InChIKey of 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is WBJMGFLWELLBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-9-4-12-11(6-14(9)18-3)5-10(2)19-8-13(17(21)22)16(20)7-15(12)19/h4,6-8,10,18H,5H2,1-3H3,(H,21,22).
What are the key properties of 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 123897145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).