7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol

C17H14F2N2O — CID 146475105

IUPAC7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol
SMILESCNC(c1ccc(F)cc1F)c1ccc2cccnc2c1O
InChIInChI=1S/C17H14F2N2O/c1-20-16(12-7-5-11(18)9-14(12)19)13-6-4-10-3-2-8-21-15(10)17(13)22/h2-9,16,20,22H,1H3
InChIKeyHZIXLJRYJNUBKK-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.53
Rot. Bonds3

About 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol

7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol (PubChem CID 146475105) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol
PubChem CID146475105
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol
SMILESCNC(c1ccc(F)cc1F)c1ccc2cccnc2c1O
InChIInChI=1S/C17H14F2N2O/c1-20-16(12-7-5-11(18)9-14(12)19)13-6-4-10-3-2-8-21-15(10)17(13)22/h2-9,16,20,22H,1H3
InChIKeyHZIXLJRYJNUBKK-UHFFFAOYSA-N
XLogP3.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
7-[(2,5-dichlorophenyl)-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543055
1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021150
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105143729
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol
CID 67987497
7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol
CID 58542851
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
N-[1-(2,4-difluorophenyl)ethyl]quinolin-8-amine
CID 43191671

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol (CID 146475105) is 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol is CNC(c1ccc(F)cc1F)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol?
The InChIKey is HZIXLJRYJNUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c1-20-16(12-7-5-11(18)9-14(12)19)13-6-4-10-3-2-8-21-15(10)17(13)22/h2-9,16,20,22H,1H3.
What are the key properties of 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol?
7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol has a molecular weight of 300.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 146475105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).