3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid

C29H28ClNO4 — CID 19745868

IUPAC3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid
SMILESO=C(O)CCOC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C29H28ClNO4/c30-24-13-8-21(9-14-24)4-3-7-28(34-19-18-29(32)33)23-11-16-26(17-12-23)35-20-25-15-10-22-5-1-2-6-27(22)31-25/h1-2,5-6,8-17,28H,3-4,7,18-20H2,(H,32,33)
InChIKeyCZDWNFJMAAAZRU-UHFFFAOYSA-N
MW490.00 g/mol
LogP7.02
Rot. Bonds12

About 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid

3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid (PubChem CID 19745868) has the molecular formula C29H28ClNO4 and a molecular weight of 490.00 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid
PubChem CID19745868
Molecular FormulaC29H28ClNO4
Molecular Weight490.00 g/mol
Exact Mass489.17
IUPAC Name3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid
SMILESO=C(O)CCOC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C29H28ClNO4/c30-24-13-8-21(9-14-24)4-3-7-28(34-19-18-29(32)33)23-11-16-26(17-12-23)35-20-25-15-10-22-5-1-2-6-27(22)31-25/h1-2,5-6,8-17,28H,3-4,7,18-20H2,(H,32,33)
InChIKeyCZDWNFJMAAAZRU-UHFFFAOYSA-N
XLogP7.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.00
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]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

3-[4-(4-methylsulfanylphenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid
CID 19745854
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
3-[4-(4-fluorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanoic acid
CID 19745865
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol
CID 56980555
2-[4-(4-methylsulfanylphenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanoic acid
CID 19745863
3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57041875
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
O-[2-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 11793527
4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579770

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid?
The IUPAC name of 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid (CID 19745868) is 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid is O=C(O)CCOC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid?
The InChIKey is CZDWNFJMAAAZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClNO4/c30-24-13-8-21(9-14-24)4-3-7-28(34-19-18-29(32)33)23-11-16-26(17-12-23)35-20-25-15-10-22-5-1-2-6-27(22)31-25/h1-2,5-6,8-17,28H,3-4,7,18-20H2,(H,32,33).
What are the key properties of 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid?
3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid has a molecular weight of 490.00 g/mol, XLogP of 7.02, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid is sourced from PubChem (CID 19745868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).