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

C21H24FN7O — CID 150904203

IUPAC5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(N2CC(N3CCCc4cc(F)ccc43)C2)n1-c1ccc(OC)nc1
InChIInChI=1S/C21H24FN7O/c1-23-20-25-26-21(29(20)16-6-8-19(30-2)24-11-16)27-12-17(13-27)28-9-3-4-14-10-15(22)5-7-18(14)28/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,23,25)
InChIKeyLAQBJHWOMFTZBU-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.49
Rot. Bonds5

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

5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine (PubChem CID 150904203) 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)-N-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine
PubChem CID150904203
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(N2CC(N3CCCc4cc(F)ccc43)C2)n1-c1ccc(OC)nc1
InChIInChI=1S/C21H24FN7O/c1-23-20-25-26-21(29(20)16-6-8-19(30-2)24-11-16)27-12-17(13-27)28-9-3-4-14-10-15(22)5-7-18(14)28/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,23,25)
InChIKeyLAQBJHWOMFTZBU-UHFFFAOYSA-N
XLogP2.49
TPSA71.34 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 ≤ 52.49
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)-N-methyl-1,2,4-triazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

[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
3-(1,1-difluoroethyl)-5-fluoro-1-[1-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]azetidin-3-yl]indole
CID 162608392
7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one
CID 150428949
5-[3-[3-(2-chloro-4-fluorophenyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 142391757
5-[3-[(3S,4R)-3-(2-chloro-4-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-(difluoromethoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 135192937
5-[3-[3-(2-chloro-4-fluorophenyl)pyrrolidin-1-yl]-5-(difluoromethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 135193013
5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole
CID 153405999
1-[(2-chloro-4-fluorophenyl)methyl]-4-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]piperazine
CID 155565553
1-[1-[4-(1,3-benzodioxol-5-yl)-5-(ethoxymethyl)-1,2,4-triazol-3-yl]azetidin-3-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 135177952
5-[3-[(4R)-3-(2-chloro-3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 147490798
heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 145090879
methyl 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboximidothioate
CID 135177409

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)-N-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine (CID 150904203) is 5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine.
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)-N-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine is CNc1nnc(N2CC(N3CCCc4cc(F)ccc43)C2)n1-c1ccc(OC)nc1.
What is the InChIKey of 5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine?
The InChIKey is LAQBJHWOMFTZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-23-20-25-26-21(29(20)16-6-8-19(30-2)24-11-16)27-12-17(13-27)28-9-3-4-14-10-15(22)5-7-18(14)28/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,23,25).
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)-N-methyl-1,2,4-triazol-3-amine?
5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine has a molecular weight of 409.47 g/mol, XLogP of 2.49, 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)-N-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 150904203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).