7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid

C14H12BrNO4 — CID 150857074

IUPAC7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(Br)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C14H12BrNO4/c1-20-13-10(15)5-4-8-11(13)16(7-2-3-7)6-9(12(8)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
InChIKeyKRFNSKRWFASRTN-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.81
Rot. Bonds3

About 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid

7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 150857074) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID150857074
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(Br)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C14H12BrNO4/c1-20-13-10(15)5-4-8-11(13)16(7-2-3-7)6-9(12(8)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
InChIKeyKRFNSKRWFASRTN-UHFFFAOYSA-N
XLogP2.81
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 143050584
7-[(3S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 134692782
7-[(3S,4R)-3-amino-4-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69059595
bis(7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid);oxalic acid;hydrate
CID 46218332
1-cyclopropyl-8-methoxy-4-oxo-7-(4-oxo-5,6-dihydrocyclopenta[b]thiophen-2-yl)quinoline-3-carboxylic acid
CID 70137424
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
1-cyclopropyl-8-methoxy-7-(4-methoxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-4-oxoquinoline-3-carboxylic acid
CID 10179973
1-cyclopropyl-7-(5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10200944
1-cyclopropyl-8-methoxy-7-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 126540260
1-cyclopropyl-7-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 90244478
7-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 23507775

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 150857074) is 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid is COc1c(Br)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is KRFNSKRWFASRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-20-13-10(15)5-4-8-11(13)16(7-2-3-7)6-9(12(8)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19).
What are the key properties of 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid?
7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 338.16 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 150857074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).