8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine

C14H14F4N2O — CID 62892984

IUPAC8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(F)F)nc2c(OC(F)F)cccc12
InChIInChI=1S/C14H14F4N2O/c1-2-6-19-9-7-10(13(15)16)20-12-8(9)4-3-5-11(12)21-14(17)18/h3-5,7,13-14H,2,6H2,1H3,(H,19,20)
InChIKeyHNAKWDIRUWKYJG-UHFFFAOYSA-N
MW302.27 g/mol
LogP4.60
Rot. Bonds6

About 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine

8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine (PubChem CID 62892984) has the molecular formula C14H14F4N2O and a molecular weight of 302.27 g/mol. Its IUPAC name is 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine
PubChem CID62892984
Molecular FormulaC14H14F4N2O
Molecular Weight302.27 g/mol
Exact Mass302.10
IUPAC Name8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(F)F)nc2c(OC(F)F)cccc12
InChIInChI=1S/C14H14F4N2O/c1-2-6-19-9-7-10(13(15)16)20-12-8(9)4-3-5-11(12)21-14(17)18/h3-5,7,13-14H,2,6H2,1H3,(H,19,20)
InChIKeyHNAKWDIRUWKYJG-UHFFFAOYSA-N
XLogP4.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
CID 62198376
2-(difluoromethyl)-6-fluoro-8-methoxy-N-propylquinolin-4-amine
CID 62892107
2-(difluoromethyl)-7,8-dimethyl-N-propylquinolin-4-amine
CID 55127386
8-chloro-2-(difluoromethyl)-N-ethylquinolin-4-amine
CID 62890710
2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine
CID 63480702
2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine
CID 62890532
8-chloro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480780
2-(difluoromethyl)-N-ethyl-8-(2-methoxyethyl)quinolin-4-amine
CID 102908090
8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine
CID 62195939
2-cyclopropyl-8-(difluoromethoxy)-N-methylquinolin-4-amine
CID 55188923
2-methyl-4-(propylamino)quinolin-8-ol
CID 45097479
2-ethyl-8-methyl-N-propylquinolin-4-amine
CID 63481626

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine?
The IUPAC name of 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine (CID 62892984) is 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine.
What is the SMILES notation for 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine?
The canonical SMILES for 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine is CCCNc1cc(C(F)F)nc2c(OC(F)F)cccc12.
What is the InChIKey of 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine?
The InChIKey is HNAKWDIRUWKYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O/c1-2-6-19-9-7-10(13(15)16)20-12-8(9)4-3-5-11(12)21-14(17)18/h3-5,7,13-14H,2,6H2,1H3,(H,19,20).
What are the key properties of 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine?
8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine has a molecular weight of 302.27 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine is sourced from PubChem (CID 62892984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).