(6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C15H12BrNO3 — CID 118261769

IUPAC(6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESC[C@@H]1Cc2cc(Br)ccc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H12BrNO3/c1-8-4-9-5-10(16)2-3-11(9)13-6-14(18)12(15(19)20)7-17(8)13/h2-3,5-8H,4H2,1H3,(H,19,20)/t8-/m1/s1
InChIKeyVUUINNXOAAJOGB-MRVPVSSYSA-N
MW334.17 g/mol
LogP3.09
Rot. Bonds1

About (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

(6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118261769) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name(6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118261769
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name(6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESC[C@@H]1Cc2cc(Br)ccc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H12BrNO3/c1-8-4-9-5-10(16)2-3-11(9)13-6-14(18)12(15(19)20)7-17(8)13/h2-3,5-8H,4H2,1H3,(H,19,20)/t8-/m1/s1
InChIKeyVUUINNXOAAJOGB-MRVPVSSYSA-N
XLogP3.09
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251927
6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 123897145
(6R)-9-(but-3-enylamino)-10-methoxy-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 126537927
9-bromo-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 146535093
2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 70541252
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
(5S)-12-bromo-5-tert-butyl-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid
CID 139328741
9,10-dimethoxy-2-oxo-6-(trifluoromethyl)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118252085
(7S)-6,7-dimethyl-11-oxo-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 159539775
6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride
CID 142732991
9,10-dimethoxy-6-(2-methylpropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251729

Frequently Asked Questions

What is the IUPAC name of (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118261769) is (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is C[C@@H]1Cc2cc(Br)ccc2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is VUUINNXOAAJOGB-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c1-8-4-9-5-10(16)2-3-11(9)13-6-14(18)12(15(19)20)7-17(8)13/h2-3,5-8H,4H2,1H3,(H,19,20)/t8-/m1/s1.
What are the key properties of (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
(6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 334.17 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118261769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).