2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid

C21H18N2O3 — CID 54506415

IUPAC2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2-c1ccc2ccccc2n1
InChIInChI=1S/C21H18N2O3/c1-13-16(12-21(24)25)17-11-15(26-2)8-9-19(17)23(13)20-10-7-14-5-3-4-6-18(14)22-20/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyYGAQLFDIQSGQAC-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.12
Rot. Bonds4

About 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid

2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid (PubChem CID 54506415) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid
PubChem CID54506415
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2-c1ccc2ccccc2n1
InChIInChI=1S/C21H18N2O3/c1-13-16(12-21(24)25)17-11-15(26-2)8-9-19(17)23(13)20-10-7-14-5-3-4-6-18(14)22-20/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyYGAQLFDIQSGQAC-UHFFFAOYSA-N
XLogP4.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid
CID 154140708
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
2-[5-methoxy-2-methyl-1-[4-(2-phenylethoxy)benzoyl]indol-3-yl]acetic acid
CID 10138321
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-[5-methoxy-2-methyl-1-(pyridin-3-ylmethyl)indol-3-yl]acetic acid
CID 23368789
phenyl 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetate
CID 21449391
2-[1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 71718049
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid (CID 54506415) is 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid is COc1ccc2c(c1)c(CC(=O)O)c(C)n2-c1ccc2ccccc2n1.
What is the InChIKey of 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid?
The InChIKey is YGAQLFDIQSGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-13-16(12-21(24)25)17-11-15(26-2)8-9-19(17)23(13)20-10-7-14-5-3-4-6-18(14)22-20/h3-11H,12H2,1-2H3,(H,24,25).
What are the key properties of 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid?
2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid has a molecular weight of 346.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid is sourced from PubChem (CID 54506415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).