1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

C18H19FN4O — CID 162797885

IUPAC1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCC1COCc2nc3cc(F)ccc3n21
InChIInChI=1S/C18H19FN4O/c1-12-3-2-6-21-16(12)9-20-8-14-10-24-11-18-22-15-7-13(19)4-5-17(15)23(14)18/h2-7,14,20H,8-11H2,1H3
InChIKeyGFLSYQPPICOODZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.74
Rot. Bonds4

About 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 162797885) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID162797885
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCC1COCc2nc3cc(F)ccc3n21
InChIInChI=1S/C18H19FN4O/c1-12-3-2-6-21-16(12)9-20-8-14-10-24-11-18-22-15-7-13(19)4-5-17(15)23(14)18/h2-7,14,20H,8-11H2,1H3
InChIKeyGFLSYQPPICOODZ-UHFFFAOYSA-N
XLogP2.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 162797885) is 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is Cc1cccnc1CNCC1COCc2nc3cc(F)ccc3n21.
What is the InChIKey of 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is GFLSYQPPICOODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-12-3-2-6-21-16(12)9-20-8-14-10-24-11-18-22-15-7-13(19)4-5-17(15)23(14)18/h2-7,14,20H,8-11H2,1H3.
What are the key properties of 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 326.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 162797885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).