4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

C32H31F4N3O — CID 67473262

IUPAC4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1cc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2C)cc(C(F)(F)F)c1
InChIInChI=1S/C32H31F4N3O/c1-19-13-21(15-22(14-19)32(34,35)36)29-20(2)30(25-7-5-23(33)16-27(25)37-29)39-18-31(3,4)26-8-6-24(17-28(26)39)38-9-11-40-12-10-38/h5-8,13-17H,9-12,18H2,1-4H3
InChIKeyOLOAMWMEYINBPZ-UHFFFAOYSA-N
MW549.61 g/mol
LogP7.94
Rot. Bonds3

About 4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 67473262) has the molecular formula C32H31F4N3O and a molecular weight of 549.61 g/mol. Its IUPAC name is 4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID67473262
Molecular FormulaC32H31F4N3O
Molecular Weight549.61 g/mol
Exact Mass549.24
IUPAC Name4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1cc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2C)cc(C(F)(F)F)c1
InChIInChI=1S/C32H31F4N3O/c1-19-13-21(15-22(14-19)32(34,35)36)29-20(2)30(25-7-5-23(33)16-27(25)37-29)39-18-31(3,4)26-8-6-24(17-28(26)39)38-9-11-40-12-10-38/h5-8,13-17H,9-12,18H2,1-4H3
InChIKeyOLOAMWMEYINBPZ-UHFFFAOYSA-N
XLogP7.94
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.61
LogP ≤ 57.94
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-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 67473262) is 4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1cc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2C)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is OLOAMWMEYINBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N3O/c1-19-13-21(15-22(14-19)32(34,35)36)29-20(2)30(25-7-5-23(33)16-27(25)37-29)39-18-31(3,4)26-8-6-24(17-28(26)39)38-9-11-40-12-10-38/h5-8,13-17H,9-12,18H2,1-4H3.
What are the key properties of 4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 549.61 g/mol, XLogP of 7.94, 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-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 67473262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).