N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

C22H24N4O4 — CID 11974019

IUPACN-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCOc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4c3OCO4)ncnc2c1
InChIInChI=1S/C22H24N4O4/c1-26-8-6-14(7-9-26)30-19-11-15(27-2)10-17-20(19)22(24-12-23-17)25-16-4-3-5-18-21(16)29-13-28-18/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,23,24,25)
InChIKeyMKPLAMMDMLMBRI-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.58
Rot. Bonds5

About N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (PubChem CID 11974019) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
PubChem CID11974019
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCOc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4c3OCO4)ncnc2c1
InChIInChI=1S/C22H24N4O4/c1-26-8-6-14(7-9-26)30-19-11-15(27-2)10-17-20(19)22(24-12-23-17)25-16-4-3-5-18-21(16)29-13-28-18/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,23,24,25)
InChIKeyMKPLAMMDMLMBRI-UHFFFAOYSA-N
XLogP3.58
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 10302451
CID 10302451
CID 9893171
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CID 11974214
CID 11974214
CID 11974215
CID 11974215
CID 5330170
CID 5330170
CID 5330171
CID 5330171
CID 5330172
CID 5330172
CID 5330187
CID 5330187
CID 5330191
CID 5330191
CID 5330192
CID 5330192
CID 5330197
CID 5330197
CID 10113430
CID 10113430

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (CID 11974019) is N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4c3OCO4)ncnc2c1.
What is the InChIKey of N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The InChIKey is MKPLAMMDMLMBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-26-8-6-14(7-9-26)30-19-11-15(27-2)10-17-20(19)22(24-12-23-17)25-16-4-3-5-18-21(16)29-13-28-18/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,23,24,25).
What are the key properties of N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine has a molecular weight of 408.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is sourced from PubChem (CID 11974019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).