[5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine

C21H24FN7O — CID 135177595

IUPAC[5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(-n2c(CN)nnc2N2CC(N3CCCc4cc(F)ccc43)C2)cn1
InChIInChI=1S/C21H24FN7O/c1-30-20-7-5-16(11-24-20)29-19(10-23)25-26-21(29)27-12-17(13-27)28-8-2-3-14-9-15(22)4-6-18(14)28/h4-7,9,11,17H,2-3,8,10,12-13,23H2,1H3
InChIKeyDUVDOOYMJYYZGW-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.91
Rot. Bonds5

About [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine

[5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 135177595) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID135177595
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name[5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(-n2c(CN)nnc2N2CC(N3CCCc4cc(F)ccc43)C2)cn1
InChIInChI=1S/C21H24FN7O/c1-30-20-7-5-16(11-24-20)29-19(10-23)25-26-21(29)27-12-17(13-27)28-8-2-3-14-9-15(22)4-6-18(14)28/h4-7,9,11,17H,2-3,8,10,12-13,23H2,1H3
InChIKeyDUVDOOYMJYYZGW-UHFFFAOYSA-N
XLogP1.91
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine (CID 135177595) is [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine is COc1ccc(-n2c(CN)nnc2N2CC(N3CCCc4cc(F)ccc43)C2)cn1.
What is the InChIKey of [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is DUVDOOYMJYYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-30-20-7-5-16(11-24-20)29-19(10-23)25-26-21(29)27-12-17(13-27)28-8-2-3-14-9-15(22)4-6-18(14)28/h4-7,9,11,17H,2-3,8,10,12-13,23H2,1H3.
What are the key properties of [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine?
[5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 409.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 135177595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).