1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone

C24H29N5O6 — CID 10790988

IUPAC1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone
SMILESCOc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC
InChIInChI=1S/C24H29N5O6/c1-31-17-6-5-7-18(32-2)22(17)35-14-21(30)28-8-10-29(11-9-28)24-26-16-13-20(34-4)19(33-3)12-15(16)23(25)27-24/h5-7,12-13H,8-11,14H2,1-4H3,(H2,25,26,27)
InChIKeyTVKDDIPFFFMLKI-UHFFFAOYSA-N
MW483.53 g/mol
LogP1.97
Rot. Bonds8

About 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone

1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone (PubChem CID 10790988) has the molecular formula C24H29N5O6 and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone
PubChem CID10790988
Molecular FormulaC24H29N5O6
Molecular Weight483.53 g/mol
Exact Mass483.21
IUPAC Name1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone
SMILESCOc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC
InChIInChI=1S/C24H29N5O6/c1-31-17-6-5-7-18(32-2)22(17)35-14-21(30)28-8-10-29(11-9-28)24-26-16-13-20(34-4)19(33-3)12-15(16)23(25)27-24/h5-7,12-13H,8-11,14H2,1-4H3,(H2,25,26,27)
InChIKeyTVKDDIPFFFMLKI-UHFFFAOYSA-N
XLogP1.97
TPSA121.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone (CID 10790988) is 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone is COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC.
What is the InChIKey of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone?
The InChIKey is TVKDDIPFFFMLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O6/c1-31-17-6-5-7-18(32-2)22(17)35-14-21(30)28-8-10-29(11-9-28)24-26-16-13-20(34-4)19(33-3)12-15(16)23(25)27-24/h5-7,12-13H,8-11,14H2,1-4H3,(H2,25,26,27).
What are the key properties of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone?
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone has a molecular weight of 483.53 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone is sourced from PubChem (CID 10790988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).