4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine

C16H13F2N3 — CID 103963319

IUPAC4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCc1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3/c17-11-5-6-13(18)10(7-11)8-21-16-12-3-1-2-4-15(12)20-9-14(16)19/h1-7,9H,8,19H2,(H,20,21)
InChIKeyGYCYPGMSYWNCBM-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.71
Rot. Bonds3

About 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine

4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine (PubChem CID 103963319) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine
PubChem CID103963319
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCc1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3/c17-11-5-6-13(18)10(7-11)8-21-16-12-3-1-2-4-15(12)20-9-14(16)19/h1-7,9H,8,19H2,(H,20,21)
InChIKeyGYCYPGMSYWNCBM-UHFFFAOYSA-N
XLogP3.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
CID 114185848
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
CID 63795498
4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine
CID 103963247
4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine
CID 103963244
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine (CID 103963319) is 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine is Nc1cnc2ccccc2c1NCc1cc(F)ccc1F.
What is the InChIKey of 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine?
The InChIKey is GYCYPGMSYWNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-11-5-6-13(18)10(7-11)8-21-16-12-3-1-2-4-15(12)20-9-14(16)19/h1-7,9H,8,19H2,(H,20,21).
What are the key properties of 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine?
4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine has a molecular weight of 285.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine is sourced from PubChem (CID 103963319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).