(3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one

C23H28N2O2 — CID 92643613

IUPAC(3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one
SMILESCC(=O)[C@@H]([C@@H](c1ccccc1)N1CCCc2ccccc21)N1CCOCC1
InChIInChI=1S/C23H28N2O2/c1-18(26)22(24-14-16-27-17-15-24)23(20-9-3-2-4-10-20)25-13-7-11-19-8-5-6-12-21(19)25/h2-6,8-10,12,22-23H,7,11,13-17H2,1H3/t22-,23+/m0/s1
InChIKeyZKYVDCFLUSQPEU-XZOQPEGZSA-N
MW364.49 g/mol
LogP3.47
Rot. Bonds5

About (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one

(3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one (PubChem CID 92643613) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one
PubChem CID92643613
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one
SMILESCC(=O)[C@@H]([C@@H](c1ccccc1)N1CCCc2ccccc21)N1CCOCC1
InChIInChI=1S/C23H28N2O2/c1-18(26)22(24-14-16-27-17-15-24)23(20-9-3-2-4-10-20)25-13-7-11-19-8-5-6-12-21(19)25/h2-6,8-10,12,22-23H,7,11,13-17H2,1H3/t22-,23+/m0/s1
InChIKeyZKYVDCFLUSQPEU-XZOQPEGZSA-N
XLogP3.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-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

(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
(3R,4S)-4-(4-bromophenyl)-3,4-dimorpholin-4-ylbutan-2-one
CID 92573477
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbutanoyl chloride
CID 82041996
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanol
CID 155093221
2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid
CID 84750442
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one?
The IUPAC name of (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one (CID 92643613) is (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one.
What is the SMILES notation for (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one?
The canonical SMILES for (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one is CC(=O)[C@@H]([C@@H](c1ccccc1)N1CCCc2ccccc21)N1CCOCC1.
What is the InChIKey of (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one?
The InChIKey is ZKYVDCFLUSQPEU-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18(26)22(24-14-16-27-17-15-24)23(20-9-3-2-4-10-20)25-13-7-11-19-8-5-6-12-21(19)25/h2-6,8-10,12,22-23H,7,11,13-17H2,1H3/t22-,23+/m0/s1.
What are the key properties of (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one?
(3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one is sourced from PubChem (CID 92643613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).