(1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol

C20H19F2N3O2 — CID 99698510

IUPAC(1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol
SMILESO[C@@H](C[C@@H]1COCCN1c1ncnc2cc(F)c(F)cc12)c1ccccc1
InChIInChI=1S/C20H19F2N3O2/c21-16-9-15-18(10-17(16)22)23-12-24-20(15)25-6-7-27-11-14(25)8-19(26)13-4-2-1-3-5-13/h1-5,9-10,12,14,19,26H,6-8,11H2/t14-,19+/m1/s1
InChIKeyNNKCCYPZBWFFOA-KUHUBIRLSA-N
MW371.39 g/mol
LogP3.24
Rot. Bonds4

About (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol

(1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol (PubChem CID 99698510) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol
PubChem CID99698510
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol
SMILESO[C@@H](C[C@@H]1COCCN1c1ncnc2cc(F)c(F)cc12)c1ccccc1
InChIInChI=1S/C20H19F2N3O2/c21-16-9-15-18(10-17(16)22)23-12-24-20(15)25-6-7-27-11-14(25)8-19(26)13-4-2-1-3-5-13/h1-5,9-10,12,14,19,26H,6-8,11H2/t14-,19+/m1/s1
InChIKeyNNKCCYPZBWFFOA-KUHUBIRLSA-N
XLogP3.24
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol (CID 99698510) is (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol is O[C@@H](C[C@@H]1COCCN1c1ncnc2cc(F)c(F)cc12)c1ccccc1.
What is the InChIKey of (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol?
The InChIKey is NNKCCYPZBWFFOA-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-16-9-15-18(10-17(16)22)23-12-24-20(15)25-6-7-27-11-14(25)8-19(26)13-4-2-1-3-5-13/h1-5,9-10,12,14,19,26H,6-8,11H2/t14-,19+/m1/s1.
What are the key properties of (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol?
(1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol has a molecular weight of 371.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(3R)-4-(6,7-difluoroquinazolin-4-yl)morpholin-3-yl]-1-phenylethanol is sourced from PubChem (CID 99698510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).