1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one

C25H32N2O2 — CID 167545122

IUPAC1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
SMILESCC1(C)CCc2ccc(N3CCOCC3)cc2N1C(=O)CCCc1ccccc1
InChIInChI=1S/C25H32N2O2/c1-25(2)14-13-21-11-12-22(26-15-17-29-18-16-26)19-23(21)27(25)24(28)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11-12,19H,6,9-10,13-18H2,1-2H3
InChIKeyBRPCBMXUDSQDHV-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.60
Rot. Bonds5

About 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one

1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one (PubChem CID 167545122) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
PubChem CID167545122
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
SMILESCC1(C)CCc2ccc(N3CCOCC3)cc2N1C(=O)CCCc1ccccc1
InChIInChI=1S/C25H32N2O2/c1-25(2)14-13-21-11-12-22(26-15-17-29-18-16-26)19-23(21)27(25)24(28)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11-12,19H,6,9-10,13-18H2,1-2H3
InChIKeyBRPCBMXUDSQDHV-UHFFFAOYSA-N
XLogP4.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-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-(7-hydroxy-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
CID 167704570
1-[2,2-dimethyl-7-(1-methylpiperidin-4-yl)-3,4-dihydroquinolin-1-yl]-4-phenylbutan-1-one
CID 167675565
1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
CID 110316103
1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
CID 167559807
1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one
CID 167571586
1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one
CID 167578699
1-(3,3-dimethyl-2H-1,4-benzoxazin-4-yl)-4-phenylbutan-1-one
CID 167692170
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110634578
2,2-dimethyl-1-(4-phenylbutanoyl)-3H-quinolin-4-one
CID 167644306
4-phenyl-1-(2,2,4-trimethyl-3H-quinoxalin-1-yl)butan-1-one
CID 167573407
(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
CID 110316286

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one (CID 167545122) is 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one is CC1(C)CCc2ccc(N3CCOCC3)cc2N1C(=O)CCCc1ccccc1.
What is the InChIKey of 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one?
The InChIKey is BRPCBMXUDSQDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-25(2)14-13-21-11-12-22(26-15-17-29-18-16-26)19-23(21)27(25)24(28)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11-12,19H,6,9-10,13-18H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one?
1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one has a molecular weight of 392.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 167545122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).