4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid

C22H19ClN2O3 — CID 141109242

IUPAC4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid
SMILESO=C(O)CCCn1ccc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc21
InChIInChI=1S/C22H19ClN2O3/c23-17-5-3-15-4-6-18(24-20(15)13-17)14-28-19-7-8-21-16(12-19)9-11-25(21)10-1-2-22(26)27/h3-9,11-13H,1-2,10,14H2,(H,26,27)
InChIKeyRMNQTSQMXOJBDJ-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.29
Rot. Bonds7

About 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid

4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid (PubChem CID 141109242) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid
PubChem CID141109242
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid
SMILESO=C(O)CCCn1ccc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc21
InChIInChI=1S/C22H19ClN2O3/c23-17-5-3-15-4-6-18(24-20(15)13-17)14-28-19-7-8-21-16(12-19)9-11-25(21)10-1-2-22(26)27/h3-9,11-13H,1-2,10,14H2,(H,26,27)
InChIKeyRMNQTSQMXOJBDJ-UHFFFAOYSA-N
XLogP5.29
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic 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-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine
CID 54271339
1-(3-carboxypropyl)-4-[2-[4-[[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]methoxy]phenyl]ethenyl]indole-3-carboxylic acid
CID 68690788
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
3-[5-[[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]propanoic acid
CID 45271619
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
5-(5-bromoindol-1-yl)pentanoic acid
CID 43152065
5-(6-chloroindol-1-yl)pentan-2-one
CID 62023769
N-methyl-4-(5-propoxyindol-1-yl)butanamide
CID 116625559
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
4-(1-butylindol-5-yl)oxy-3-chlorobenzoic acid
CID 10665094

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid?
The IUPAC name of 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid (CID 141109242) is 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid is O=C(O)CCCn1ccc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc21.
What is the InChIKey of 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid?
The InChIKey is RMNQTSQMXOJBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-17-5-3-15-4-6-18(24-20(15)13-17)14-28-19-7-8-21-16(12-19)9-11-25(21)10-1-2-22(26)27/h3-9,11-13H,1-2,10,14H2,(H,26,27).
What are the key properties of 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid?
4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid has a molecular weight of 394.86 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid is sourced from PubChem (CID 141109242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).