2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine

C15H12FN3 — CID 43148647

IUPAC2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc3cccnc23)c(F)c1
InChIInChI=1S/C15H12FN3/c16-12-9-11(17)6-7-13(12)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H,17H2
InChIKeyPMCOBPVJOSIKTJ-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.70
Rot. Bonds2

About 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine

2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine (PubChem CID 43148647) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine
PubChem CID43148647
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc3cccnc23)c(F)c1
InChIInChI=1S/C15H12FN3/c16-12-9-11(17)6-7-13(12)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H,17H2
InChIKeyPMCOBPVJOSIKTJ-UHFFFAOYSA-N
XLogP3.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine
CID 62953097
2-N-quinolin-8-yl-1,3-benzoxazole-2,6-diamine
CID 79881931
2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine
CID 63230957
5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969359
6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144805
4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932073
6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112867081
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
3-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 62476690
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine (CID 43148647) is 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine is Nc1ccc(Nc2cccc3cccnc23)c(F)c1.
What is the InChIKey of 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine?
The InChIKey is PMCOBPVJOSIKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-12-9-11(17)6-7-13(12)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H,17H2.
What are the key properties of 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine?
2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine has a molecular weight of 253.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine is sourced from PubChem (CID 43148647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).