2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid

C15H19NO3 — CID 82623990

IUPAC2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid
SMILESCN1CCCc2ccc3c(c21)C(CC(=O)O)CCO3
InChIInChI=1S/C15H19NO3/c1-16-7-2-3-10-4-5-12-14(15(10)16)11(6-8-19-12)9-13(17)18/h4-5,11H,2-3,6-9H2,1H3,(H,17,18)
InChIKeyYQYSRMKHEUVWMC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.41
Rot. Bonds2

About 2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid

2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid (PubChem CID 82623990) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid
PubChem CID82623990
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid
SMILESCN1CCCc2ccc3c(c21)C(CC(=O)O)CCO3
InChIInChI=1S/C15H19NO3/c1-16-7-2-3-10-4-5-12-14(15(10)16)11(6-8-19-12)9-13(17)18/h4-5,11H,2-3,6-9H2,1H3,(H,17,18)
InChIKeyYQYSRMKHEUVWMC-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

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Related Compounds

2-(1-methyl-3,4,8,9,10,11-hexahydro-2H-oxepino[2,3-h]quinolin-11-yl)acetic acid
CID 82626268
1-methyl-3,4,8,9,10,11-hexahydro-2H-oxepino[2,3-h]quinoline-11-carboxylic acid
CID 82624014
2-(4-methyl-2,3,8,9,10,11-hexahydro-1H-oxepino[3,2-f]quinolin-11-yl)acetic acid
CID 82626267
2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid
CID 82623988
(2R)-3-methylbutan-2-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143058
2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82626089
(1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143055
2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 82083096
4-methyl-2,3,8,9,10,11-hexahydro-1H-oxepino[3,2-f]quinoline-10-carboxylic acid
CID 82624001
(2R)-heptan-2-amine;2-[(8R)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25141869
2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid
CID 141011089
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid (CID 82623990) is 2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid is CN1CCCc2ccc3c(c21)C(CC(=O)O)CCO3.
What is the InChIKey of 2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid?
The InChIKey is YQYSRMKHEUVWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16-7-2-3-10-4-5-12-14(15(10)16)11(6-8-19-12)9-13(17)18/h4-5,11H,2-3,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid?
2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-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-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid is sourced from PubChem (CID 82623990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).