(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine

C15H12FN3 — CID 105182016

IUPAC(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
SMILESNC(c1ccncc1F)c1ccnc2ccccc12
InChIInChI=1S/C15H12FN3/c16-13-9-18-7-5-12(13)15(17)11-6-8-19-14-4-2-1-3-10(11)14/h1-9,15H,17H2
InChIKeyDGTJYTUXTLMNCW-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.82
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine

(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine (PubChem CID 105182016) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
PubChem CID105182016
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
SMILESNC(c1ccncc1F)c1ccnc2ccccc12
InChIInChI=1S/C15H12FN3/c16-13-9-18-7-5-12(13)15(17)11-6-8-19-14-4-2-1-3-10(11)14/h1-9,15H,17H2
InChIKeyDGTJYTUXTLMNCW-UHFFFAOYSA-N
XLogP2.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine
CID 105038149
(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870
(4-chlorophenyl)-quinolin-4-ylmethanamine
CID 105076501
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
[4-[4-[amino(quinolin-4-yl)methyl]phenyl]phenyl]-quinolin-4-ylmethanamine;hydrate
CID 67722730
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
CID 105141880
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455
(5-methyl-3-pyridinyl)-quinolin-4-ylmethanamine
CID 105173960
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine?
The IUPAC name of (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine (CID 105182016) is (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine?
The canonical SMILES for (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine is NC(c1ccncc1F)c1ccnc2ccccc12.
What is the InChIKey of (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine?
The InChIKey is DGTJYTUXTLMNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-13-9-18-7-5-12(13)15(17)11-6-8-19-14-4-2-1-3-10(11)14/h1-9,15H,17H2.
What are the key properties of (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine?
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine has a molecular weight of 253.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine is sourced from PubChem (CID 105182016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).