[4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone

C19H25N5O4 — CID 59662879

IUPAC[4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone
SMILES[2H]N([2H])c1nc(N2CCN(C(=O)C3OC([2H])([2H])C([2H])([2H])C3([2H])[2H])CC2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)/i3D2,4D2,9D2/hD2
InChIKeyVCKUSRYTPJJLNI-JSDYBZOQSA-N
MW395.49 g/mol
LogP1.06
Rot. Bonds5

About [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone

[4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone (PubChem CID 59662879) has the molecular formula C19H25N5O4 and a molecular weight of 395.49 g/mol. Its IUPAC name is [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone
PubChem CID59662879
Molecular FormulaC19H25N5O4
Molecular Weight395.49 g/mol
Exact Mass395.24
IUPAC Name[4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone
SMILES[2H]N([2H])c1nc(N2CCN(C(=O)C3OC([2H])([2H])C([2H])([2H])C3([2H])[2H])CC2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)/i3D2,4D2,9D2/hD2
InChIKeyVCKUSRYTPJJLNI-JSDYBZOQSA-N
XLogP1.06
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)-[2,2,6,6-tetradeuterio-4-[4-(dideuterioamino)-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]piperazin-1-yl]methanone
CID 59662803
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrobromide;hydrochloride
CID 140517129
[4-[4-(dideuterioamino)-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]piperazin-1-yl]-(3,3-dideuterio-2H-1,4-benzodioxin-2-yl)methanone
CID 59662767
2,3-dihydro-1,4-benzodioxin-3-yl-[2,2,6,6-tetradeuterio-4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]methanone
CID 59662917
(3,3-dideuterio-2H-1,4-benzodioxin-2-yl)-[2,2,6,6-tetradeuterio-4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]methanone
CID 59662845
[4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(2,2,3-trideuterio-1,4-benzodioxin-3-yl)methanone
CID 59662764
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(5S)-5-methyloxolan-2-yl]methanone
CID 72941989
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 6604102
(3,3-dideuterio-2H-1,4-benzodioxin-2-yl)-[2,2,6,6-tetradeuterio-4-[4-(dideuterioamino)-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]piperazin-1-yl]methanone
CID 59662913
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;methane
CID 143009855
[4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 66546959
bis([4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone);methanesulfonic acid
CID 173083883

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone?
The IUPAC name of [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone (CID 59662879) is [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone.
What is the SMILES notation for [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone?
The canonical SMILES for [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone is [2H]N([2H])c1nc(N2CCN(C(=O)C3OC([2H])([2H])C([2H])([2H])C3([2H])[2H])CC2)nc2cc(OC)c(OC)cc12.
What is the InChIKey of [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone?
The InChIKey is VCKUSRYTPJJLNI-JSDYBZOQSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)/i3D2,4D2,9D2/hD2.
What are the key properties of [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone?
[4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone has a molecular weight of 395.49 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone is sourced from PubChem (CID 59662879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).