4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

C30H30FN3O — CID 50940110

IUPAC4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2ccccc2F)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C30H30FN3O/c1-20-28(22-8-4-6-10-25(22)31)32-26-11-7-5-9-23(26)29(20)34-19-30(2,3)24-13-12-21(18-27(24)34)33-14-16-35-17-15-33/h4-13,18H,14-17,19H2,1-3H3
InChIKeyRJSOFWOUKFPVLW-UHFFFAOYSA-N
MW467.59 g/mol
LogP6.62
Rot. Bonds3

About 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50940110) has the molecular formula C30H30FN3O and a molecular weight of 467.59 g/mol. Its IUPAC name is 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50940110
Molecular FormulaC30H30FN3O
Molecular Weight467.59 g/mol
Exact Mass467.24
IUPAC Name4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2ccccc2F)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C30H30FN3O/c1-20-28(22-8-4-6-10-25(22)31)32-26-11-7-5-9-23(26)29(20)34-19-30(2,3)24-13-12-21(18-27(24)34)33-14-16-35-17-15-33/h4-13,18H,14-17,19H2,1-3H3
InChIKeyRJSOFWOUKFPVLW-UHFFFAOYSA-N
XLogP6.62
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,3-Dimethyl-6-(Morpholin-4-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-7-Fluoro-3-Methyl-2-(Pyridin-3-Yl)quinoline
CID 50939209
8-fluoro-5-(4-fluorophenyl)-2-(2-quinolin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 54586686
4-(5,6-Dihydrobenzo[c]acridin-7-yl)morpholine
CID 2729702
9-Morpholin-4-yl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 2888802
2-(4-Morpholinophenyl)quinoline
CID 1472976
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 50939338
1-(3-Methyl-2-phenyl-4-quinolinyl)-6-(4-morpholinyl)-1,2,2',3',5',6'-hexahydrospiro[indole-3,4'-pyran]
CID 50939344
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-3-methyl-2-phenylquinoline
CID 50939865
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-2,3-dimethylquinoline
CID 50939992
4-(1-(6-Chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethylindolin-6-yl)morpholine
CID 50940334
1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
CID 67284515
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 67284779

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50940110) is 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1c(-c2ccccc2F)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is RJSOFWOUKFPVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O/c1-20-28(22-8-4-6-10-25(22)31)32-26-11-7-5-9-23(26)29(20)34-19-30(2,3)24-13-12-21(18-27(24)34)33-14-16-35-17-15-33/h4-13,18H,14-17,19H2,1-3H3.
What are the key properties of 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 467.59 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50940110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).