N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine

C24H27ClN4O5 — CID 11974214

IUPACN-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine
SMILESCC(C)Oc1cc(OCCN2CCOCC2)cc2ncnc(Nc3c(Cl)ccc4c3OCO4)c12
InChIInChI=1S/C24H27ClN4O5/c1-15(2)34-20-12-16(31-10-7-29-5-8-30-9-6-29)11-18-21(20)24(27-13-26-18)28-22-17(25)3-4-19-23(22)33-14-32-19/h3-4,11-13,15H,5-10,14H2,1-2H3,(H,26,27,28)
InChIKeyBCHOPQZXYFIQMM-UHFFFAOYSA-N
MW486.96 g/mol
LogP4.25
Rot. Bonds8

About N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine

N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine (PubChem CID 11974214) has the molecular formula C24H27ClN4O5 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine
PubChem CID11974214
Molecular FormulaC24H27ClN4O5
Molecular Weight486.96 g/mol
Exact Mass486.17
IUPAC NameN-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine
SMILESCC(C)Oc1cc(OCCN2CCOCC2)cc2ncnc(Nc3c(Cl)ccc4c3OCO4)c12
InChIInChI=1S/C24H27ClN4O5/c1-15(2)34-20-12-16(31-10-7-29-5-8-30-9-6-29)11-18-21(20)24(27-13-26-18)28-22-17(25)3-4-19-23(22)33-14-32-19/h3-4,11-13,15H,5-10,14H2,1-2H3,(H,26,27,28)
InChIKeyBCHOPQZXYFIQMM-UHFFFAOYSA-N
XLogP4.25
TPSA87.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine?
The IUPAC name of N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine (CID 11974214) is N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine?
The canonical SMILES for N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine is CC(C)Oc1cc(OCCN2CCOCC2)cc2ncnc(Nc3c(Cl)ccc4c3OCO4)c12.
What is the InChIKey of N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine?
The InChIKey is BCHOPQZXYFIQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O5/c1-15(2)34-20-12-16(31-10-7-29-5-8-30-9-6-29)11-18-21(20)24(27-13-26-18)28-22-17(25)3-4-19-23(22)33-14-32-19/h3-4,11-13,15H,5-10,14H2,1-2H3,(H,26,27,28).
What are the key properties of N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine?
N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine has a molecular weight of 486.96 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-morpholin-4-ylethoxy)-5-propan-2-yloxyquinazolin-4-amine is sourced from PubChem (CID 11974214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).