N-[(2,4-difluorophenyl)methyl]quinolin-4-amine

C16H12F2N2 — CID 62227376

IUPACN-[(2,4-difluorophenyl)methyl]quinolin-4-amine
SMILESFc1ccc(CNc2ccnc3ccccc23)c(F)c1
InChIInChI=1S/C16H12F2N2/c17-12-6-5-11(14(18)9-12)10-20-16-7-8-19-15-4-2-1-3-13(15)16/h1-9H,10H2,(H,19,20)
InChIKeyLNZJUTZXMVWRQK-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.13
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]quinolin-4-amine

N-[(2,4-difluorophenyl)methyl]quinolin-4-amine (PubChem CID 62227376) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]quinolin-4-amine
PubChem CID62227376
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]quinolin-4-amine
SMILESFc1ccc(CNc2ccnc3ccccc23)c(F)c1
InChIInChI=1S/C16H12F2N2/c17-12-6-5-11(14(18)9-12)10-20-16-7-8-19-15-4-2-1-3-13(15)16/h1-9H,10H2,(H,19,20)
InChIKeyLNZJUTZXMVWRQK-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-difluorophenyl)methyl]quinolin-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-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
2,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868097
N-(isoquinolin-4-ylmethyl)quinolin-4-amine
CID 174877636
2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 83072892
2-bromo-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 63867024
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
N-ethylquinolin-4-amine
CID 15306588
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
CID 65028486
2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]quinolin-4-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]quinolin-4-amine (CID 62227376) is N-[(2,4-difluorophenyl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]quinolin-4-amine is Fc1ccc(CNc2ccnc3ccccc23)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]quinolin-4-amine?
The InChIKey is LNZJUTZXMVWRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c17-12-6-5-11(14(18)9-12)10-20-16-7-8-19-15-4-2-1-3-13(15)16/h1-9H,10H2,(H,19,20).
What are the key properties of N-[(2,4-difluorophenyl)methyl]quinolin-4-amine?
N-[(2,4-difluorophenyl)methyl]quinolin-4-amine has a molecular weight of 270.28 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]quinolin-4-amine is sourced from PubChem (CID 62227376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).