6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid

C14H11Br2NO2 — CID 64918782

IUPAC6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid
SMILESCc1c(C2CC2)nc2c(Br)cc(Br)cc2c1C(=O)O
InChIInChI=1S/C14H11Br2NO2/c1-6-11(14(18)19)9-4-8(15)5-10(16)13(9)17-12(6)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,18,19)
InChIKeyWYJLVDQDFBRLIP-UHFFFAOYSA-N
MW385.06 g/mol
LogP4.64
Rot. Bonds2

About 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid

6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid (PubChem CID 64918782) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid
PubChem CID64918782
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid
SMILESCc1c(C2CC2)nc2c(Br)cc(Br)cc2c1C(=O)O
InChIInChI=1S/C14H11Br2NO2/c1-6-11(14(18)19)9-4-8(15)5-10(16)13(9)17-12(6)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,18,19)
InChIKeyWYJLVDQDFBRLIP-UHFFFAOYSA-N
XLogP4.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid?
The IUPAC name of 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid (CID 64918782) is 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid is Cc1c(C2CC2)nc2c(Br)cc(Br)cc2c1C(=O)O.
What is the InChIKey of 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid?
The InChIKey is WYJLVDQDFBRLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c1-6-11(14(18)19)9-4-8(15)5-10(16)13(9)17-12(6)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,18,19).
What are the key properties of 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid?
6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid has a molecular weight of 385.06 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 64918782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).