(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol

C17H21F2N3O2 — CID 99712353

IUPAC(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESC[C@](O)(CNc1ccnc2c(F)cc(F)cc12)CN1CCOCC1
InChIInChI=1S/C17H21F2N3O2/c1-17(23,11-22-4-6-24-7-5-22)10-21-15-2-3-20-16-13(15)8-12(18)9-14(16)19/h2-3,8-9,23H,4-7,10-11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyLNGAMSJDFDCSRO-KRWDZBQOSA-N
MW337.37 g/mol
LogP2.01
Rot. Bonds5

About (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol

(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 99712353) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
PubChem CID99712353
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESC[C@](O)(CNc1ccnc2c(F)cc(F)cc12)CN1CCOCC1
InChIInChI=1S/C17H21F2N3O2/c1-17(23,11-22-4-6-24-7-5-22)10-21-15-2-3-20-16-13(15)8-12(18)9-14(16)19/h2-3,8-9,23H,4-7,10-11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyLNGAMSJDFDCSRO-KRWDZBQOSA-N
XLogP2.01
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol (CID 99712353) is (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol is C[C@](O)(CNc1ccnc2c(F)cc(F)cc12)CN1CCOCC1.
What is the InChIKey of (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is LNGAMSJDFDCSRO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-17(23,11-22-4-6-24-7-5-22)10-21-15-2-3-20-16-13(15)8-12(18)9-14(16)19/h2-3,8-9,23H,4-7,10-11H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 337.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 99712353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).