4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

C30H29F2N3O — CID 50939339

IUPAC4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2ccccc2F)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C30H29F2N3O/c1-19-28(22-6-4-5-7-25(22)32)33-26-16-20(31)8-10-23(26)29(19)35-18-30(2,3)24-11-9-21(17-27(24)35)34-12-14-36-15-13-34/h4-11,16-17H,12-15,18H2,1-3H3
InChIKeyUGXRXFSAPICNHT-UHFFFAOYSA-N
MW485.58 g/mol
LogP6.75
Rot. Bonds3

About 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50939339) has the molecular formula C30H29F2N3O and a molecular weight of 485.58 g/mol. Its IUPAC name is 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50939339
Molecular FormulaC30H29F2N3O
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2ccccc2F)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C30H29F2N3O/c1-19-28(22-6-4-5-7-25(22)32)33-26-16-20(31)8-10-23(26)29(19)35-18-30(2,3)24-11-9-21(17-27(24)35)34-12-14-36-15-13-34/h4-11,16-17H,12-15,18H2,1-3H3
InChIKeyUGXRXFSAPICNHT-UHFFFAOYSA-N
XLogP6.75
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50939339) is 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1c(-c2ccccc2F)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is UGXRXFSAPICNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3O/c1-19-28(22-6-4-5-7-25(22)32)33-26-16-20(31)8-10-23(26)29(19)35-18-30(2,3)24-11-9-21(17-27(24)35)34-12-14-36-15-13-34/h4-11,16-17H,12-15,18H2,1-3H3.
What are the key properties of 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 485.58 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50939339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).