1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one

C37H32N2O3 — CID 10792807

IUPAC1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
SMILESO=C(CCc1ccc(OCc2ccc3ccccc3n2)cc1)CCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C37H32N2O3/c40-33(19-9-27-11-21-34(22-12-27)41-25-31-17-15-29-5-1-3-7-36(29)38-31)20-10-28-13-23-35(24-14-28)42-26-32-18-16-30-6-2-4-8-37(30)39-32/h1-8,11-18,21-24H,9-10,19-20,25-26H2
InChIKeyVGTVKBVCPJZFAW-UHFFFAOYSA-N
MW552.67 g/mol
LogP8.08
Rot. Bonds12

About 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one

1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one (PubChem CID 10792807) has the molecular formula C37H32N2O3 and a molecular weight of 552.67 g/mol. Its IUPAC name is 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one.

Molecular Properties

Compound Name1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
PubChem CID10792807
Molecular FormulaC37H32N2O3
Molecular Weight552.67 g/mol
Exact Mass552.24
IUPAC Name1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
SMILESO=C(CCc1ccc(OCc2ccc3ccccc3n2)cc1)CCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C37H32N2O3/c40-33(19-9-27-11-21-34(22-12-27)41-25-31-17-15-29-5-1-3-7-36(29)38-31)20-10-28-13-23-35(24-14-28)42-26-32-18-16-30-6-2-4-8-37(30)39-32/h1-8,11-18,21-24H,9-10,19-20,25-26H2
InChIKeyVGTVKBVCPJZFAW-UHFFFAOYSA-N
XLogP8.08
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.67
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one 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

5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one?
The IUPAC name of 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one (CID 10792807) is 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one.
What is the SMILES notation for 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one?
The canonical SMILES for 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one is O=C(CCc1ccc(OCc2ccc3ccccc3n2)cc1)CCc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one?
The InChIKey is VGTVKBVCPJZFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N2O3/c40-33(19-9-27-11-21-34(22-12-27)41-25-31-17-15-29-5-1-3-7-36(29)38-31)20-10-28-13-23-35(24-14-28)42-26-32-18-16-30-6-2-4-8-37(30)39-32/h1-8,11-18,21-24H,9-10,19-20,25-26H2.
What are the key properties of 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one?
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one has a molecular weight of 552.67 g/mol, XLogP of 8.08, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one is sourced from PubChem (CID 10792807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).