7-(difluoromethoxy)-N-phenylquinolin-4-amine

C16H12F2N2O — CID 168886760

IUPAC7-(difluoromethoxy)-N-phenylquinolin-4-amine
SMILESFC(F)Oc1ccc2c(Nc3ccccc3)ccnc2c1
InChIInChI=1S/C16H12F2N2O/c17-16(18)21-12-6-7-13-14(8-9-19-15(13)10-12)20-11-4-2-1-3-5-11/h1-10,16H,(H,19,20)
InChIKeyBSMNHCFLQBWZRV-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.58
Rot. Bonds4

About 7-(difluoromethoxy)-N-phenylquinolin-4-amine

7-(difluoromethoxy)-N-phenylquinolin-4-amine (PubChem CID 168886760) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-phenylquinolin-4-amine.

Molecular Properties

Compound Name7-(difluoromethoxy)-N-phenylquinolin-4-amine
PubChem CID168886760
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name7-(difluoromethoxy)-N-phenylquinolin-4-amine
SMILESFC(F)Oc1ccc2c(Nc3ccccc3)ccnc2c1
InChIInChI=1S/C16H12F2N2O/c17-16(18)21-12-6-7-13-14(8-9-19-15(13)10-12)20-11-4-2-1-3-5-11/h1-10,16H,(H,19,20)
InChIKeyBSMNHCFLQBWZRV-UHFFFAOYSA-N
XLogP4.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(difluoromethoxy)-N-phenylquinolin-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

N-(4-phenoxyphenyl)quinolin-4-amine
CID 44585573
7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
CID 67699123
[6-(difluoromethoxy)quinolin-4-yl]hydrazine
CID 62251977
N-(3-phenoxyphenyl)quinolin-4-amine
CID 44531074
methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
CID 66487273
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
7-methoxy-N-[4-(methylaminosulfanyl)phenyl]quinolin-4-amine
CID 168886839
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
4-bromo-6-(difluoromethoxy)quinoline
CID 114763893

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-N-phenylquinolin-4-amine?
The IUPAC name of 7-(difluoromethoxy)-N-phenylquinolin-4-amine (CID 168886760) is 7-(difluoromethoxy)-N-phenylquinolin-4-amine.
What is the SMILES notation for 7-(difluoromethoxy)-N-phenylquinolin-4-amine?
The canonical SMILES for 7-(difluoromethoxy)-N-phenylquinolin-4-amine is FC(F)Oc1ccc2c(Nc3ccccc3)ccnc2c1.
What is the InChIKey of 7-(difluoromethoxy)-N-phenylquinolin-4-amine?
The InChIKey is BSMNHCFLQBWZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-16(18)21-12-6-7-13-14(8-9-19-15(13)10-12)20-11-4-2-1-3-5-11/h1-10,16H,(H,19,20).
What are the key properties of 7-(difluoromethoxy)-N-phenylquinolin-4-amine?
7-(difluoromethoxy)-N-phenylquinolin-4-amine has a molecular weight of 286.28 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-N-phenylquinolin-4-amine is sourced from PubChem (CID 168886760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).