[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C24H27N5O6 — CID 15591663

IUPAC[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)C4COc5cccc(OC)c5O4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C24H27N5O6/c1-31-16-5-4-6-17-21(16)35-20(13-34-17)23(30)28-7-9-29(10-8-28)24-26-15-12-19(33-3)18(32-2)11-14(15)22(25)27-24/h4-6,11-12,20H,7-10,13H2,1-3H3,(H2,25,26,27)
InChIKeyNVZBKRGBGINCDK-UHFFFAOYSA-N
MW481.51 g/mol
LogP1.73
Rot. Bonds5

About [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 15591663) has the molecular formula C24H27N5O6 and a molecular weight of 481.51 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
PubChem CID15591663
Molecular FormulaC24H27N5O6
Molecular Weight481.51 g/mol
Exact Mass481.20
IUPAC Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)C4COc5cccc(OC)c5O4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C24H27N5O6/c1-31-16-5-4-6-17-21(16)35-20(13-34-17)23(30)28-7-9-29(10-8-28)24-26-15-12-19(33-3)18(32-2)11-14(15)22(25)27-24/h4-6,11-12,20H,7-10,13H2,1-3H3,(H2,25,26,27)
InChIKeyNVZBKRGBGINCDK-UHFFFAOYSA-N
XLogP1.73
TPSA121.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 15591663) is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone.
What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone is COc1cc2nc(N3CCN(C(=O)C4COc5cccc(OC)c5O4)CC3)nc(N)c2cc1OC.
What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The InChIKey is NVZBKRGBGINCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O6/c1-31-16-5-4-6-17-21(16)35-20(13-34-17)23(30)28-7-9-29(10-8-28)24-26-15-12-19(33-3)18(32-2)11-14(15)22(25)27-24/h4-6,11-12,20H,7-10,13H2,1-3H3,(H2,25,26,27).
What are the key properties of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 481.51 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 15591663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).