2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid

C21H17ClN2O3 — CID 10237369

IUPAC2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H17ClN2O3/c1-12-16(11-21(25)26)17-10-14(27-2)4-6-19(17)24(12)20-7-8-23-18-9-13(22)3-5-15(18)20/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyVJXYIASUBZUHMU-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.78
Rot. Bonds4

About 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid

2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid (PubChem CID 10237369) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid
PubChem CID10237369
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H17ClN2O3/c1-12-16(11-21(25)26)17-10-14(27-2)4-6-19(17)24(12)20-7-8-23-18-9-13(22)3-5-15(18)20/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyVJXYIASUBZUHMU-UHFFFAOYSA-N
XLogP4.78
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid (CID 10237369) is 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid is COc1ccc2c(c1)c(CC(=O)O)c(C)n2-c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid?
The InChIKey is VJXYIASUBZUHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-12-16(11-21(25)26)17-10-14(27-2)4-6-19(17)24(12)20-7-8-23-18-9-13(22)3-5-15(18)20/h3-10H,11H2,1-2H3,(H,25,26).
What are the key properties of 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid?
2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid has a molecular weight of 380.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 10237369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).