2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid

C15H19NO3 — CID 82623988

IUPAC2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid
SMILESCN1CCCc2cc3c(cc21)C(CC(=O)O)CCO3
InChIInChI=1S/C15H19NO3/c1-16-5-2-3-11-7-14-12(9-13(11)16)10(4-6-19-14)8-15(17)18/h7,9-10H,2-6,8H2,1H3,(H,17,18)
InChIKeyASRUACDXJVYPJC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.41
Rot. Bonds2

About 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid

2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid (PubChem CID 82623988) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid
PubChem CID82623988
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid
SMILESCN1CCCc2cc3c(cc21)C(CC(=O)O)CCO3
InChIInChI=1S/C15H19NO3/c1-16-5-2-3-11-7-14-12(9-13(11)16)10(4-6-19-14)8-15(17)18/h7,9-10H,2-6,8H2,1H3,(H,17,18)
InChIKeyASRUACDXJVYPJC-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid?
The IUPAC name of 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid (CID 82623988) is 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid is CN1CCCc2cc3c(cc21)C(CC(=O)O)CCO3.
What is the InChIKey of 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid?
The InChIKey is ASRUACDXJVYPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16-5-2-3-11-7-14-12(9-13(11)16)10(4-6-19-14)8-15(17)18/h7,9-10H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid?
2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid is sourced from PubChem (CID 82623988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).