[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone

C18H19N5O4 — CID 171713803

IUPAC[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone
SMILES[2H]C1([2H])N(C(=O)c2ccco2)C([2H])([2H])C([2H])([2H])N(c2nc(N)c3cc(O)c(OC)cc3n2)C1([2H])[2H]
InChIInChI=1S/C18H19N5O4/c1-26-15-10-12-11(9-13(15)24)16(19)21-18(20-12)23-6-4-22(5-7-23)17(25)14-3-2-8-27-14/h2-3,8-10,24H,4-7H2,1H3,(H2,19,20,21)/i4D2,5D2,6D2,7D2
InChIKeyMEIJXVLQSXTSIJ-DUSUNJSHSA-N
MW377.43 g/mol
LogP1.48
Rot. Bonds3

About [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone

[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 171713803) has the molecular formula C18H19N5O4 and a molecular weight of 377.43 g/mol. Its IUPAC name is [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID171713803
Molecular FormulaC18H19N5O4
Molecular Weight377.43 g/mol
Exact Mass377.19
IUPAC Name[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone
SMILES[2H]C1([2H])N(C(=O)c2ccco2)C([2H])([2H])C([2H])([2H])N(c2nc(N)c3cc(O)c(OC)cc3n2)C1([2H])[2H]
InChIInChI=1S/C18H19N5O4/c1-26-15-10-12-11(9-13(15)24)16(19)21-18(20-12)23-6-4-22(5-7-23)17(25)14-3-2-8-27-14/h2-3,8-10,24H,4-7H2,1H3,(H2,19,20,21)/i4D2,5D2,6D2,7D2
InChIKeyMEIJXVLQSXTSIJ-DUSUNJSHSA-N
XLogP1.48
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 46782778
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3-tetradeuteriopiperazin-1-yl]-(furan-2-yl)methanone
CID 159765849
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone
CID 22294025
[4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 174473246
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one;hydrochloride
CID 13100443
[4-(1-amino-6,7-dimethoxyisoquinolin-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14068977
[4-(4-amino-6,7-dimethoxyquinazolin-3-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 6200102
[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 44523465
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 21183936
[4-[6,7-dimethoxy-3-(methylamino)quinoxalin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23934063
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 54245050
CID 163462957
CID 163462957

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone (CID 171713803) is [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone is [2H]C1([2H])N(C(=O)c2ccco2)C([2H])([2H])C([2H])([2H])N(c2nc(N)c3cc(O)c(OC)cc3n2)C1([2H])[2H].
What is the InChIKey of [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MEIJXVLQSXTSIJ-DUSUNJSHSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-26-15-10-12-11(9-13(15)24)16(19)21-18(20-12)23-6-4-22(5-7-23)17(25)14-3-2-8-27-14/h2-3,8-10,24H,4-7H2,1H3,(H2,19,20,21)/i4D2,5D2,6D2,7D2.
What are the key properties of [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 377.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 171713803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).