4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol

C37H34N2O3 — CID 10769106

IUPAC4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol
SMILESCC(CCCO)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C37H34N2O3/c1-37(23-6-24-40,29-13-19-33(20-14-29)41-25-31-17-11-27-7-2-4-9-35(27)38-31)30-15-21-34(22-16-30)42-26-32-18-12-28-8-3-5-10-36(28)39-32/h2-5,7-22,40H,6,23-26H2,1H3
InChIKeyHAYDEXXFHADWDD-UHFFFAOYSA-N
MW554.69 g/mol
LogP8.02
Rot. Bonds11

About 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol

4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol (PubChem CID 10769106) has the molecular formula C37H34N2O3 and a molecular weight of 554.69 g/mol. Its IUPAC name is 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol.

Molecular Properties

Compound Name4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol
PubChem CID10769106
Molecular FormulaC37H34N2O3
Molecular Weight554.69 g/mol
Exact Mass554.26
IUPAC Name4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol
SMILESCC(CCCO)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C37H34N2O3/c1-37(23-6-24-40,29-13-19-33(20-14-29)41-25-31-17-11-27-7-2-4-9-35(27)38-31)30-15-21-34(22-16-30)42-26-32-18-12-28-8-3-5-10-36(28)39-32/h2-5,7-22,40H,6,23-26H2,1H3
InChIKeyHAYDEXXFHADWDD-UHFFFAOYSA-N
XLogP8.02
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol 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

sodium;4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentanoate;hydrate
CID 23664501
S-ethyl 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanethioate
CID 19069071
methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate
CID 10793105
sodium;hydride;4-[4-[(2-methylbenzimidazol-2-yl)methoxy]phenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 173297513
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
methyl 4-hydroxy-4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]but-2-ynoate
CID 10579134
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
N-pentyl-4-(quinolin-2-ylmethoxy)aniline
CID 19801895
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
O-[4,4-bis[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]pentyl]hydroxylamine
CID 22106653

Frequently Asked Questions

What is the IUPAC name of 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol?
The IUPAC name of 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol (CID 10769106) is 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol.
What is the SMILES notation for 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol?
The canonical SMILES for 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol is CC(CCCO)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol?
The InChIKey is HAYDEXXFHADWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O3/c1-37(23-6-24-40,29-13-19-33(20-14-29)41-25-31-17-11-27-7-2-4-9-35(27)38-31)30-15-21-34(22-16-30)42-26-32-18-12-28-8-3-5-10-36(28)39-32/h2-5,7-22,40H,6,23-26H2,1H3.
What are the key properties of 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol?
4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol has a molecular weight of 554.69 g/mol, XLogP of 8.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol is sourced from PubChem (CID 10769106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).