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

C14H16F2N2O — CID 62198376

IUPAC8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C)nc2c(OC(F)F)cccc12
InChIInChI=1S/C14H16F2N2O/c1-3-7-17-11-8-9(2)18-13-10(11)5-4-6-12(13)19-14(15)16/h4-6,8,14H,3,7H2,1-2H3,(H,17,18)
InChIKeyCLLBPUSCJBBKMI-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.97
Rot. Bonds5

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

8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine (PubChem CID 62198376) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
PubChem CID62198376
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C)nc2c(OC(F)F)cccc12
InChIInChI=1S/C14H16F2N2O/c1-3-7-17-11-8-9(2)18-13-10(11)5-4-6-12(13)19-14(15)16/h4-6,8,14H,3,7H2,1-2H3,(H,17,18)
InChIKeyCLLBPUSCJBBKMI-UHFFFAOYSA-N
XLogP3.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine
CID 62892984
2-methyl-4-(propylamino)quinolin-8-ol
CID 45097479
8-(methoxymethyl)-2-methyl-N-propylquinolin-4-amine
CID 62197742
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine
CID 63480702
7,8-difluoro-2-methyl-N-propylquinolin-4-amine
CID 62196946
8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
2-ethyl-8-methyl-N-propylquinolin-4-amine
CID 63481626
8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine
CID 62195939
2-cyclopropyl-8-(difluoromethoxy)-N-methylquinolin-4-amine
CID 55188923
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine?
The IUPAC name of 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine (CID 62198376) is 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine is CCCNc1cc(C)nc2c(OC(F)F)cccc12.
What is the InChIKey of 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine?
The InChIKey is CLLBPUSCJBBKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-3-7-17-11-8-9(2)18-13-10(11)5-4-6-12(13)19-14(15)16/h4-6,8,14H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine?
8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine has a molecular weight of 266.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 62198376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).