7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride

C16H24ClN3O3 — CID 174738357

IUPAC7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride
SMILESC1COCCN1.CCCOc1cc2cncnc2cc1OC.Cl
InChIInChI=1S/C12H14N2O2.C4H9NO.ClH/c1-3-4-16-12-5-9-7-13-8-14-10(9)6-11(12)15-2;1-3-6-4-2-5-1;/h5-8H,3-4H2,1-2H3;5H,1-4H2;1H
InChIKeyZXDMXIUXTILLKT-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.46
Rot. Bonds4

About 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride

7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride (PubChem CID 174738357) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride
PubChem CID174738357
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride
SMILESC1COCCN1.CCCOc1cc2cncnc2cc1OC.Cl
InChIInChI=1S/C12H14N2O2.C4H9NO.ClH/c1-3-4-16-12-5-9-7-13-8-14-10(9)6-11(12)15-2;1-3-6-4-2-5-1;/h5-8H,3-4H2,1-2H3;5H,1-4H2;1H
InChIKeyZXDMXIUXTILLKT-UHFFFAOYSA-N
XLogP2.46
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride?
The IUPAC name of 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride (CID 174738357) is 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride.
What is the SMILES notation for 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride?
The canonical SMILES for 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride is C1COCCN1.CCCOc1cc2cncnc2cc1OC.Cl.
What is the InChIKey of 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride?
The InChIKey is ZXDMXIUXTILLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C4H9NO.ClH/c1-3-4-16-12-5-9-7-13-8-14-10(9)6-11(12)15-2;1-3-6-4-2-5-1;/h5-8H,3-4H2,1-2H3;5H,1-4H2;1H.
What are the key properties of 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride?
7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride is sourced from PubChem (CID 174738357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).