1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol

C20H27N3O5 — CID 91578906

IUPAC1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol
SMILESOC(COc1cc(OC2CCOCC2)c2cncnc2c1)CN1CCOCC1
InChIInChI=1S/C20H27N3O5/c24-15(12-23-3-7-26-8-4-23)13-27-17-9-19-18(11-21-14-22-19)20(10-17)28-16-1-5-25-6-2-16/h9-11,14-16,24H,1-8,12-13H2
InChIKeyUTCUTSUEVVWANP-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.26
Rot. Bonds7

About 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol

1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol (PubChem CID 91578906) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol
PubChem CID91578906
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol
SMILESOC(COc1cc(OC2CCOCC2)c2cncnc2c1)CN1CCOCC1
InChIInChI=1S/C20H27N3O5/c24-15(12-23-3-7-26-8-4-23)13-27-17-9-19-18(11-21-14-22-19)20(10-17)28-16-1-5-25-6-2-16/h9-11,14-16,24H,1-8,12-13H2
InChIKeyUTCUTSUEVVWANP-UHFFFAOYSA-N
XLogP1.26
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol with MolForge

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Related Compounds

ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate
CID 139338434
4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine
CID 86601567
1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 75432775
1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 11971912
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
(2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate
CID 141018164
lithium;ethyl 4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexane-1-carboxylate;methanamine;N-methyl-4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexane-1-carboxamide;4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexane-1-carboxylic acid;oxolane;hydroxide
CID 159593215
1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 660609
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
4-chloro-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22140750
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol (CID 91578906) is 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol is OC(COc1cc(OC2CCOCC2)c2cncnc2c1)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol?
The InChIKey is UTCUTSUEVVWANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c24-15(12-23-3-7-26-8-4-23)13-27-17-9-19-18(11-21-14-22-19)20(10-17)28-16-1-5-25-6-2-16/h9-11,14-16,24H,1-8,12-13H2.
What are the key properties of 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol?
1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol has a molecular weight of 389.45 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol is sourced from PubChem (CID 91578906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).