4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

C30H28F3N3O — CID 50938717

IUPAC4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2cc(F)ccc2F)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C30H28F3N3O/c1-18-28(23-14-19(31)5-9-25(23)33)34-26-15-20(32)4-7-22(26)29(18)36-17-30(2,3)24-8-6-21(16-27(24)36)35-10-12-37-13-11-35/h4-9,14-16H,10-13,17H2,1-3H3
InChIKeyDQRRLIJVWJXBGT-UHFFFAOYSA-N
MW503.57 g/mol
LogP6.89
Rot. Bonds3

About 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50938717) has the molecular formula C30H28F3N3O and a molecular weight of 503.57 g/mol. Its IUPAC name is 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50938717
Molecular FormulaC30H28F3N3O
Molecular Weight503.57 g/mol
Exact Mass503.22
IUPAC Name4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2cc(F)ccc2F)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C30H28F3N3O/c1-18-28(23-14-19(31)5-9-25(23)33)34-26-15-20(32)4-7-22(26)29(18)36-17-30(2,3)24-8-6-21(16-27(24)36)35-10-12-37-13-11-35/h4-9,14-16H,10-13,17H2,1-3H3
InChIKeyDQRRLIJVWJXBGT-UHFFFAOYSA-N
XLogP6.89
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.57
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50938717) is 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1c(-c2cc(F)ccc2F)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is DQRRLIJVWJXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O/c1-18-28(23-14-19(31)5-9-25(23)33)34-26-15-20(32)4-7-22(26)29(18)36-17-30(2,3)24-8-6-21(16-27(24)36)35-10-12-37-13-11-35/h4-9,14-16H,10-13,17H2,1-3H3.
What are the key properties of 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 503.57 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2,5-difluorophenyl)-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50938717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).