1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol

C18H18FN3O2 — CID 178090534

IUPAC1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol
SMILESCNc1ccc(-c2ccc3cc(OCC(O)CF)cnc3c2)cn1
InChIInChI=1S/C18H18FN3O2/c1-20-18-5-4-14(9-22-18)12-2-3-13-6-16(10-21-17(13)7-12)24-11-15(23)8-19/h2-7,9-10,15,23H,8,11H2,1H3,(H,20,22)
InChIKeyNPZYJYSKYLAEMZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.05
Rot. Bonds6

About 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol

1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol (PubChem CID 178090534) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol
PubChem CID178090534
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol
SMILESCNc1ccc(-c2ccc3cc(OCC(O)CF)cnc3c2)cn1
InChIInChI=1S/C18H18FN3O2/c1-20-18-5-4-14(9-22-18)12-2-3-13-6-16(10-21-17(13)7-12)24-11-15(23)8-19/h2-7,9-10,15,23H,8,11H2,1H3,(H,20,22)
InChIKeyNPZYJYSKYLAEMZ-UHFFFAOYSA-N
XLogP3.05
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol
CID 158020962
(2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol
CID 157199901
1-(18F)fluoro-3-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol
CID 52933240
(2S)-1-fluoro-3-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol
CID 122413432
3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol
CID 118642420
5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine
CID 143670067
1-[2-[4-[6-(methylamino)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypropan-2-ol
CID 155783794
1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol
CID 56969578
(2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol
CID 125141585
5-(4-ethylphenyl)-N-methylpyridin-2-amine
CID 143417999
1-fluoro-3-[[2-[(1E,3E)-4-[4-(methylamino)phenyl]buta-1,3-dienyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol
CID 155583093
(2S)-1-[[2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-3-fluoropropan-2-ol
CID 122413455

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol?
The IUPAC name of 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol (CID 178090534) is 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol.
What is the SMILES notation for 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol?
The canonical SMILES for 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol is CNc1ccc(-c2ccc3cc(OCC(O)CF)cnc3c2)cn1.
What is the InChIKey of 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol?
The InChIKey is NPZYJYSKYLAEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-20-18-5-4-14(9-22-18)12-2-3-13-6-16(10-21-17(13)7-12)24-11-15(23)8-19/h2-7,9-10,15,23H,8,11H2,1H3,(H,20,22).
What are the key properties of 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol?
1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol has a molecular weight of 327.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol is sourced from PubChem (CID 178090534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).