5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine

C13H13ClF2N2O2 — CID 62892450

IUPAC5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2c(OC)cc(OC)c(Cl)c12
InChIInChI=1S/C13H13ClF2N2O2/c1-17-6-4-7(13(15)16)18-12-9(20-3)5-8(19-2)11(14)10(6)12/h4-5,13H,1-3H3,(H,17,18)
InChIKeyIXSRLQCIDCNNFC-UHFFFAOYSA-N
MW302.71 g/mol
LogP3.88
Rot. Bonds4

About 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine

5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine (PubChem CID 62892450) has the molecular formula C13H13ClF2N2O2 and a molecular weight of 302.71 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine
PubChem CID62892450
Molecular FormulaC13H13ClF2N2O2
Molecular Weight302.71 g/mol
Exact Mass302.06
IUPAC Name5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2c(OC)cc(OC)c(Cl)c12
InChIInChI=1S/C13H13ClF2N2O2/c1-17-6-4-7(13(15)16)18-12-9(20-3)5-8(19-2)11(14)10(6)12/h4-5,13H,1-3H3,(H,17,18)
InChIKeyIXSRLQCIDCNNFC-UHFFFAOYSA-N
XLogP3.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine (CID 62892450) is 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine is CNc1cc(C(F)F)nc2c(OC)cc(OC)c(Cl)c12.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine?
The InChIKey is IXSRLQCIDCNNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O2/c1-17-6-4-7(13(15)16)18-12-9(20-3)5-8(19-2)11(14)10(6)12/h4-5,13H,1-3H3,(H,17,18).
What are the key properties of 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine?
5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine has a molecular weight of 302.71 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-N-methylquinolin-4-amine is sourced from PubChem (CID 62892450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).