[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol

C18H16F2N2O — CID 133474779

IUPAC[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C18H16F2N2O/c19-17(20)13-7-5-12(6-8-13)10-21-18-15(11-23)9-14-3-1-2-4-16(14)22-18/h1-9,17,23H,10-11H2,(H,21,22)
InChIKeySRZCABOYVSTJLH-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.28
Rot. Bonds5

About [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol

[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol (PubChem CID 133474779) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol
PubChem CID133474779
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C18H16F2N2O/c19-17(20)13-7-5-12(6-8-13)10-21-18-15(11-23)9-14-3-1-2-4-16(14)22-18/h1-9,17,23H,10-11H2,(H,21,22)
InChIKeySRZCABOYVSTJLH-UHFFFAOYSA-N
XLogP4.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol?
The IUPAC name of [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol (CID 133474779) is [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol?
The canonical SMILES for [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol is OCc1cc2ccccc2nc1NCc1ccc(C(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol?
The InChIKey is SRZCABOYVSTJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c19-17(20)13-7-5-12(6-8-13)10-21-18-15(11-23)9-14-3-1-2-4-16(14)22-18/h1-9,17,23H,10-11H2,(H,21,22).
What are the key properties of [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol?
[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol has a molecular weight of 314.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol is sourced from PubChem (CID 133474779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).