[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride

C19H23ClN6O4 — CID 21183894

IUPAC[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride
SMILESCOc1cc2nc(N3CCN(C(=O)c4conc4C)CC3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C19H22N6O4.ClH/c1-11-13(10-29-23-11)18(26)24-4-6-25(7-5-24)19-21-14-9-16(28-3)15(27-2)8-12(14)17(20)22-19;/h8-10H,4-7H2,1-3H3,(H2,20,21,22);1H
InChIKeyNWNLUFUMRWHBBK-UHFFFAOYSA-N
MW434.88 g/mol
LogP1.91
Rot. Bonds4

About [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride (PubChem CID 21183894) has the molecular formula C19H23ClN6O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride
PubChem CID21183894
Molecular FormulaC19H23ClN6O4
Molecular Weight434.88 g/mol
Exact Mass434.15
IUPAC Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride
SMILESCOc1cc2nc(N3CCN(C(=O)c4conc4C)CC3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C19H22N6O4.ClH/c1-11-13(10-29-23-11)18(26)24-4-6-25(7-5-24)19-21-14-9-16(28-3)15(27-2)8-12(14)17(20)22-19;/h8-10H,4-7H2,1-3H3,(H2,20,21,22);1H
InChIKeyNWNLUFUMRWHBBK-UHFFFAOYSA-N
XLogP1.91
TPSA119.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride (CID 21183894) is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride is COc1cc2nc(N3CCN(C(=O)c4conc4C)CC3)nc(N)c2cc1OC.Cl.
What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride?
The InChIKey is NWNLUFUMRWHBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4.ClH/c1-11-13(10-29-23-11)18(26)24-4-6-25(7-5-24)19-21-14-9-16(28-3)15(27-2)8-12(14)17(20)22-19;/h8-10H,4-7H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride?
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride has a molecular weight of 434.88 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 21183894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).