(5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one

C26H29NO3 — CID 167685594

IUPAC(5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one
SMILESCCC(=O)c1c(C)c(-c2ccccc2)nc2ccc(CC(=O)CC[C@H](O)CC)cc12
InChIInChI=1S/C26H29NO3/c1-4-20(28)12-13-21(29)15-18-11-14-23-22(16-18)25(24(30)5-2)17(3)26(27-23)19-9-7-6-8-10-19/h6-11,14,16,20,28H,4-5,12-13,15H2,1-3H3/t20-/m1/s1
InChIKeyWDYMRNHCAXMXOA-HXUWFJFHSA-N
MW403.52 g/mol
LogP5.47
Rot. Bonds9

About (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one

(5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one (PubChem CID 167685594) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one
PubChem CID167685594
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name(5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one
SMILESCCC(=O)c1c(C)c(-c2ccccc2)nc2ccc(CC(=O)CC[C@H](O)CC)cc12
InChIInChI=1S/C26H29NO3/c1-4-20(28)12-13-21(29)15-18-11-14-23-22(16-18)25(24(30)5-2)17(3)26(27-23)19-9-7-6-8-10-19/h6-11,14,16,20,28H,4-5,12-13,15H2,1-3H3/t20-/m1/s1
InChIKeyWDYMRNHCAXMXOA-HXUWFJFHSA-N
XLogP5.47
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-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

1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one
CID 167696611
(5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one
CID 167606361
1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one
CID 167693810
4-chloro-3-methyl-2-phenyl-6-propylquinoline
CID 104845968
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 4712153
6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid
CID 94962038
(4R)-5-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-4-(2-fluorophenyl)pentanoic acid
CID 162679908
5,5-difluoro-1-(2-methyl-3-phenylquinolin-6-yl)heptan-2-one
CID 167595176
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
6-cyclobutyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 122539386
tert-butyl 6-bromo-3-methyl-2-phenylquinoline-4-carboxylate
CID 122551271

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one?
The IUPAC name of (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one (CID 167685594) is (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one.
What is the SMILES notation for (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one?
The canonical SMILES for (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one is CCC(=O)c1c(C)c(-c2ccccc2)nc2ccc(CC(=O)CC[C@H](O)CC)cc12.
What is the InChIKey of (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one?
The InChIKey is WDYMRNHCAXMXOA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H29NO3/c1-4-20(28)12-13-21(29)15-18-11-14-23-22(16-18)25(24(30)5-2)17(3)26(27-23)19-9-7-6-8-10-19/h6-11,14,16,20,28H,4-5,12-13,15H2,1-3H3/t20-/m1/s1.
What are the key properties of (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one?
(5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one has a molecular weight of 403.52 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one is sourced from PubChem (CID 167685594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).