(3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid

C23H21NO3 — CID 139922083

IUPAC(3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid
SMILESO=C(O)C/C=C1\CCCc2c(OCc3ccc4ccccc4n3)cccc21
InChIInChI=1S/C23H21NO3/c25-23(26)14-12-16-6-3-8-20-19(16)7-4-10-22(20)27-15-18-13-11-17-5-1-2-9-21(17)24-18/h1-2,4-5,7,9-13H,3,6,8,14-15H2,(H,25,26)/b16-12+
InChIKeyAQKGZVNANIUDTM-FOWTUZBSSA-N
MW359.43 g/mol
LogP5.01
Rot. Bonds5

About (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid

(3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid (PubChem CID 139922083) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid.

Molecular Properties

Compound Name(3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid
PubChem CID139922083
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid
SMILESO=C(O)C/C=C1\CCCc2c(OCc3ccc4ccccc4n3)cccc21
InChIInChI=1S/C23H21NO3/c25-23(26)14-12-16-6-3-8-20-19(16)7-4-10-22(20)27-15-18-13-11-17-5-1-2-9-21(17)24-18/h1-2,4-5,7,9-13H,3,6,8,14-15H2,(H,25,26)/b16-12+
InChIKeyAQKGZVNANIUDTM-FOWTUZBSSA-N
XLogP5.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2E)-2-[7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]ethyl]sulfanylacetic acid
CID 139921972
2-(quinolin-2-ylmethoxy)benzoate
CID 6919840
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid
CID 22157458
2-[[5-[2-(2H-1,2,4-oxadiazin-5-yl)ethylidene]-7,8-dihydro-6H-naphthalen-1-yl]oxy]acetic acid
CID 54453812
2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 70412599
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
[5-[2-(5-benzhydryl-1,2-oxazol-3-yl)ethylidene]-7,8-dihydro-6H-naphthalen-1-yl] acetate
CID 57234716
methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate
CID 67334661

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid?
The IUPAC name of (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid (CID 139922083) is (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid.
What is the SMILES notation for (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid?
The canonical SMILES for (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid is O=C(O)C/C=C1\CCCc2c(OCc3ccc4ccccc4n3)cccc21.
What is the InChIKey of (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid?
The InChIKey is AQKGZVNANIUDTM-FOWTUZBSSA-N. The full InChI is InChI=1S/C23H21NO3/c25-23(26)14-12-16-6-3-8-20-19(16)7-4-10-22(20)27-15-18-13-11-17-5-1-2-9-21(17)24-18/h1-2,4-5,7,9-13H,3,6,8,14-15H2,(H,25,26)/b16-12+.
What are the key properties of (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid?
(3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid has a molecular weight of 359.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid is sourced from PubChem (CID 139922083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).