2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid

C15H19NO3 — CID 82624017

IUPAC2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
SMILESCOc1ccc(C)c2c1NCC1(CC1)C2CC(=O)O
InChIInChI=1S/C15H19NO3/c1-9-3-4-11(19-2)14-13(9)10(7-12(17)18)15(5-6-15)8-16-14/h3-4,10,16H,5-8H2,1-2H3,(H,17,18)
InChIKeySQAGWIWMNGSYDG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.77
Rot. Bonds3

About 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid

2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid (PubChem CID 82624017) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
PubChem CID82624017
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
SMILESCOc1ccc(C)c2c1NCC1(CC1)C2CC(=O)O
InChIInChI=1S/C15H19NO3/c1-9-3-4-11(19-2)14-13(9)10(7-12(17)18)15(5-6-15)8-16-14/h3-4,10,16H,5-8H2,1-2H3,(H,17,18)
InChIKeySQAGWIWMNGSYDG-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84643530
5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid
CID 82625270
(3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 101139844
2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
CID 84639173
7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84622575
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119
5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine
CID 84624461
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 44719100
2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 83860546
6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099069

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid?
The IUPAC name of 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid (CID 82624017) is 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid.
What is the SMILES notation for 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid?
The canonical SMILES for 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid is COc1ccc(C)c2c1NCC1(CC1)C2CC(=O)O.
What is the InChIKey of 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid?
The InChIKey is SQAGWIWMNGSYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-3-4-11(19-2)14-13(9)10(7-12(17)18)15(5-6-15)8-16-14/h3-4,10,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid?
2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid is sourced from PubChem (CID 82624017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).