2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid

C15H15BrN2O2 — CID 110432865

IUPAC2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(Br)cc2c(NC2CC2)c1CC(=O)O
InChIInChI=1S/C15H15BrN2O2/c1-8-11(7-14(19)20)15(18-10-3-4-10)12-6-9(16)2-5-13(12)17-8/h2,5-6,10H,3-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyGHJMRZXLQQZCCK-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.51
Rot. Bonds4

About 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid

2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid (PubChem CID 110432865) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid
PubChem CID110432865
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(Br)cc2c(NC2CC2)c1CC(=O)O
InChIInChI=1S/C15H15BrN2O2/c1-8-11(7-14(19)20)15(18-10-3-4-10)12-6-9(16)2-5-13(12)17-8/h2,5-6,10H,3-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyGHJMRZXLQQZCCK-UHFFFAOYSA-N
XLogP3.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432762
6-bromo-2-ethyl-4-(oxan-4-ylamino)quinoline-3-carboxylic acid
CID 142745252
6-bromo-4-(oxan-4-ylamino)cinnoline-3-carboxylic acid
CID 138490479
6-bromo-3-ethyl-2-methylquinoline-4-carboxylic acid
CID 21061136
6-bromo-3,4-diethyl-2-methylquinoline
CID 125452623
6-bromo-3-ethyl-2-methylquinoline-4-thiolate
CID 7362102
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432761
3-(6-bromo-2-methyl-3-propylquinolin-4-yl)sulfanylpropanoic acid
CID 1349287
6-bromo-4-chloro-2-methyl-3-(thian-4-ylmethyl)quinoline
CID 138637067
[6-bromo-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 66715679
2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432764
2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
CID 110435349

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid (CID 110432865) is 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid is Cc1nc2ccc(Br)cc2c(NC2CC2)c1CC(=O)O.
What is the InChIKey of 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid?
The InChIKey is GHJMRZXLQQZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-8-11(7-14(19)20)15(18-10-3-4-10)12-6-9(16)2-5-13(12)17-8/h2,5-6,10H,3-4,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid?
2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid has a molecular weight of 335.20 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 110432865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).