3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol

C13H13ClF2N2O — CID 103766069

IUPAC3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESOC(CNCc1ccc(Cl)c2cccnc12)C(F)F
InChIInChI=1S/C13H13ClF2N2O/c14-10-4-3-8(6-17-7-11(19)13(15)16)12-9(10)2-1-5-18-12/h1-5,11,13,17,19H,6-7H2
InChIKeyLVTVULXAEISIGF-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.60
Rot. Bonds5

About 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol

3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103766069) has the molecular formula C13H13ClF2N2O and a molecular weight of 286.71 g/mol. Its IUPAC name is 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103766069
Molecular FormulaC13H13ClF2N2O
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESOC(CNCc1ccc(Cl)c2cccnc12)C(F)F
InChIInChI=1S/C13H13ClF2N2O/c14-10-4-3-8(6-17-7-11(19)13(15)16)12-9(10)2-1-5-18-12/h1-5,11,13,17,19H,6-7H2
InChIKeyLVTVULXAEISIGF-UHFFFAOYSA-N
XLogP2.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol
CID 167757522
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
CID 103876224
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol (CID 103766069) is 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol is OC(CNCc1ccc(Cl)c2cccnc12)C(F)F.
What is the InChIKey of 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is LVTVULXAEISIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O/c14-10-4-3-8(6-17-7-11(19)13(15)16)12-9(10)2-1-5-18-12/h1-5,11,13,17,19H,6-7H2.
What are the key properties of 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol?
3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 286.71 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103766069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).