6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one

C33H28F5N5O2 — CID 24803698

IUPAC6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one
SMILESCN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4)n2)cn3C2(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C33H28F5N5O2/c1-41-12-14-42(15-13-41)28-18-27-24(17-26(28)35)30(44)25(31-39-29(45-40-31)16-20-2-8-23(34)9-3-20)19-43(27)32(10-11-32)21-4-6-22(7-5-21)33(36,37)38/h2-9,17-19H,10-16H2,1H3
InChIKeyBGZDPFLWHZTFLB-UHFFFAOYSA-N
MW621.61 g/mol
LogP6.23
Rot. Bonds6

About 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one

6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one (PubChem CID 24803698) has the molecular formula C33H28F5N5O2 and a molecular weight of 621.61 g/mol. Its IUPAC name is 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one
PubChem CID24803698
Molecular FormulaC33H28F5N5O2
Molecular Weight621.61 g/mol
Exact Mass621.22
IUPAC Name6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one
SMILESCN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4)n2)cn3C2(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C33H28F5N5O2/c1-41-12-14-42(15-13-41)28-18-27-24(17-26(28)35)30(44)25(31-39-29(45-40-31)16-20-2-8-23(34)9-3-20)19-43(27)32(10-11-32)21-4-6-22(7-5-21)33(36,37)38/h2-9,17-19H,10-16H2,1H3
InChIKeyBGZDPFLWHZTFLB-UHFFFAOYSA-N
XLogP6.23
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.61
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one?
The IUPAC name of 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one (CID 24803698) is 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one?
The canonical SMILES for 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one is CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4)n2)cn3C2(c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one?
The InChIKey is BGZDPFLWHZTFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F5N5O2/c1-41-12-14-42(15-13-41)28-18-27-24(17-26(28)35)30(44)25(31-39-29(45-40-31)16-20-2-8-23(34)9-3-20)19-43(27)32(10-11-32)21-4-6-22(7-5-21)33(36,37)38/h2-9,17-19H,10-16H2,1H3.
What are the key properties of 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one?
6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one has a molecular weight of 621.61 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-(4-methylpiperazin-1-yl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinolin-4-one is sourced from PubChem (CID 24803698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).