1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone

C27H25NO3 — CID 145465271

IUPAC1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone
SMILESCOc1ccc2nc(-c3ccc(-c4ccc(CCCO)cc4)cc3)cc(C(C)=O)c2c1
InChIInChI=1S/C27H25NO3/c1-18(30)24-17-27(28-26-14-13-23(31-2)16-25(24)26)22-11-9-21(10-12-22)20-7-5-19(6-8-20)4-3-15-29/h5-14,16-17,29H,3-4,15H2,1-2H3
InChIKeySLNNPAJYMIDOIS-UHFFFAOYSA-N
MW411.50 g/mol
LogP5.70
Rot. Bonds7

About 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone

1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone (PubChem CID 145465271) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone
PubChem CID145465271
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone
SMILESCOc1ccc2nc(-c3ccc(-c4ccc(CCCO)cc4)cc3)cc(C(C)=O)c2c1
InChIInChI=1S/C27H25NO3/c1-18(30)24-17-27(28-26-14-13-23(31-2)16-25(24)26)22-11-9-21(10-12-22)20-7-5-19(6-8-20)4-3-15-29/h5-14,16-17,29H,3-4,15H2,1-2H3
InChIKeySLNNPAJYMIDOIS-UHFFFAOYSA-N
XLogP5.70
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone 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

6-(3-hydroxypropyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
CID 69111148
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1218453
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443764
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone?
The IUPAC name of 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone (CID 145465271) is 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone?
The canonical SMILES for 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone is COc1ccc2nc(-c3ccc(-c4ccc(CCCO)cc4)cc3)cc(C(C)=O)c2c1.
What is the InChIKey of 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone?
The InChIKey is SLNNPAJYMIDOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-18(30)24-17-27(28-26-14-13-23(31-2)16-25(24)26)22-11-9-21(10-12-22)20-7-5-19(6-8-20)4-3-15-29/h5-14,16-17,29H,3-4,15H2,1-2H3.
What are the key properties of 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone?
1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone has a molecular weight of 411.50 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone is sourced from PubChem (CID 145465271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).