4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol

C24H28N4O5 — CID 69355450

IUPAC4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol
SMILESCOc1cc2c(Nc3cccc4c3OCO4)ncnc2cc1OCCC1(O)CCN(C)CC1
InChIInChI=1S/C24H28N4O5/c1-28-9-6-24(29,7-10-28)8-11-31-21-13-18-16(12-20(21)30-2)23(26-14-25-18)27-17-4-3-5-19-22(17)33-15-32-19/h3-5,12-14,29H,6-11,15H2,1-2H3,(H,25,26,27)
InChIKeyZVOPJBBCLOBRSC-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.34
Rot. Bonds7

About 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol

4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol (PubChem CID 69355450) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol
PubChem CID69355450
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol
SMILESCOc1cc2c(Nc3cccc4c3OCO4)ncnc2cc1OCCC1(O)CCN(C)CC1
InChIInChI=1S/C24H28N4O5/c1-28-9-6-24(29,7-10-28)8-11-31-21-13-18-16(12-20(21)30-2)23(26-14-25-18)27-17-4-3-5-19-22(17)33-15-32-19/h3-5,12-14,29H,6-11,15H2,1-2H3,(H,25,26,27)
InChIKeyZVOPJBBCLOBRSC-UHFFFAOYSA-N
XLogP3.34
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol with MolForge

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Related Compounds

N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 10296738
N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
CID 68544982
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330191
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
4-(1,3-benzodioxol-4-ylamino)-7-(oxiran-2-ylmethoxy)quinazolin-6-ol;ethane;yttrium
CID 59176019
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159
1-[4-[3-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]-2-methylpropan-1-one
CID 11489610
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
N-[5-chloro-7-(4-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 68881927
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
N-(2,3-dimethyl-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 68741831

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol (CID 69355450) is 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol is COc1cc2c(Nc3cccc4c3OCO4)ncnc2cc1OCCC1(O)CCN(C)CC1.
What is the InChIKey of 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol?
The InChIKey is ZVOPJBBCLOBRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-28-9-6-24(29,7-10-28)8-11-31-21-13-18-16(12-20(21)30-2)23(26-14-25-18)27-17-4-3-5-19-22(17)33-15-32-19/h3-5,12-14,29H,6-11,15H2,1-2H3,(H,25,26,27).
What are the key properties of 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol?
4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol has a molecular weight of 452.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 69355450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).