2,4-dimethoxyquinazoline;hydrate;hydrochloride

C10H13ClN2O3 — CID 157300135

IUPAC2,4-dimethoxyquinazoline;hydrate;hydrochloride
SMILESCOc1nc(OC)c2ccccc2n1.Cl.O
InChIInChI=1S/C10H10N2O2.ClH.H2O/c1-13-9-7-5-3-4-6-8(7)11-10(12-9)14-2;;/h3-6H,1-2H3;1H;1H2
InChIKeyBBUMHNGYUDGBRV-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.24
Rot. Bonds2

About 2,4-dimethoxyquinazoline;hydrate;hydrochloride

2,4-dimethoxyquinazoline;hydrate;hydrochloride (PubChem CID 157300135) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2,4-dimethoxyquinazoline;hydrate;hydrochloride.

Molecular Properties

Compound Name2,4-dimethoxyquinazoline;hydrate;hydrochloride
PubChem CID157300135
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2,4-dimethoxyquinazoline;hydrate;hydrochloride
SMILESCOc1nc(OC)c2ccccc2n1.Cl.O
InChIInChI=1S/C10H10N2O2.ClH.H2O/c1-13-9-7-5-3-4-6-8(7)11-10(12-9)14-2;;/h3-6H,1-2H3;1H;1H2
InChIKeyBBUMHNGYUDGBRV-UHFFFAOYSA-N
XLogP1.24
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxyquinazoline;hydrate;hydrochloride?
The IUPAC name of 2,4-dimethoxyquinazoline;hydrate;hydrochloride (CID 157300135) is 2,4-dimethoxyquinazoline;hydrate;hydrochloride.
What is the SMILES notation for 2,4-dimethoxyquinazoline;hydrate;hydrochloride?
The canonical SMILES for 2,4-dimethoxyquinazoline;hydrate;hydrochloride is COc1nc(OC)c2ccccc2n1.Cl.O.
What is the InChIKey of 2,4-dimethoxyquinazoline;hydrate;hydrochloride?
The InChIKey is BBUMHNGYUDGBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH.H2O/c1-13-9-7-5-3-4-6-8(7)11-10(12-9)14-2;;/h3-6H,1-2H3;1H;1H2.
What are the key properties of 2,4-dimethoxyquinazoline;hydrate;hydrochloride?
2,4-dimethoxyquinazoline;hydrate;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxyquinazoline;hydrate;hydrochloride is sourced from PubChem (CID 157300135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).