N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine

C18H17N3O4 — CID 110434461

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc2c(Nc3ccc4c(c3)OCCO4)ncnc2c1OC
InChIInChI=1S/C18H17N3O4/c1-22-14-6-4-12-16(17(14)23-2)19-10-20-18(12)21-11-3-5-13-15(9-11)25-8-7-24-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyXJAHCRIYGONBLB-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.16
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine (PubChem CID 110434461) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine
PubChem CID110434461
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc2c(Nc3ccc4c(c3)OCCO4)ncnc2c1OC
InChIInChI=1S/C18H17N3O4/c1-22-14-6-4-12-16(17(14)23-2)19-10-20-18(12)21-11-3-5-13-15(9-11)25-8-7-24-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyXJAHCRIYGONBLB-UHFFFAOYSA-N
XLogP3.16
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 18770778
7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
CID 110434470
7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434448
3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 110434481
methyl 3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzoate
CID 110434452
7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
CID 110434476
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135035
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541790
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359455
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinazoline-7-carboxylate
CID 6984794
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19146563

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine (CID 110434461) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine is COc1ccc2c(Nc3ccc4c(c3)OCCO4)ncnc2c1OC.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine?
The InChIKey is XJAHCRIYGONBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-22-14-6-4-12-16(17(14)23-2)19-10-20-18(12)21-11-3-5-13-15(9-11)25-8-7-24-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine has a molecular weight of 339.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 110434461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).