8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid

C14H14BrNO3 — CID 66487817

IUPAC8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2cc(C)cc(Br)c21
InChIInChI=1S/C14H14BrNO3/c1-3-4-16-7-10(14(18)19)13(17)9-5-8(2)6-11(15)12(9)16/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyAGKFPLACOUTUDA-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.18
Rot. Bonds3

About 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid

8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid (PubChem CID 66487817) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
PubChem CID66487817
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2cc(C)cc(Br)c21
InChIInChI=1S/C14H14BrNO3/c1-3-4-16-7-10(14(18)19)13(17)9-5-8(2)6-11(15)12(9)16/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyAGKFPLACOUTUDA-UHFFFAOYSA-N
XLogP3.18
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 53269520
7-bromo-4-oxo-1-propylquinoline-3-carboxylic acid
CID 123972127
3-formyl-5-methyl-1-propylindole-7-carboxylic acid
CID 83947946
1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid
CID 82247569
5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid
CID 131629778
1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251641
3,7-dibromo-1-ethyl-5-methylindole
CID 90146694
ethyl 7-bromo-1,5-dimethylindole-3-carboxylate
CID 137376322
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
6-[3-(2-carboxyethylamino)propyl]-8-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid
CID 143226840
6-fluoro-1-(2-fluoroethyl)-8-methyl-4-oxo-7-propan-2-ylquinoline-3-carboxylic acid
CID 58277198
1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244448

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
The IUPAC name of 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid (CID 66487817) is 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid.
What is the SMILES notation for 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
The canonical SMILES for 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid is CCCn1cc(C(=O)O)c(=O)c2cc(C)cc(Br)c21.
What is the InChIKey of 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
The InChIKey is AGKFPLACOUTUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-3-4-16-7-10(14(18)19)13(17)9-5-8(2)6-11(15)12(9)16/h5-7H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid has a molecular weight of 324.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid is sourced from PubChem (CID 66487817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).