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

C18H18ClN3O4 — CID 18770778

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc4c(c3)OCCO4)c2cc1OC.Cl
InChIInChI=1S/C18H17N3O4.ClH/c1-22-15-8-12-13(9-16(15)23-2)19-10-20-18(12)21-11-3-4-14-17(7-11)25-6-5-24-14;/h3-4,7-10H,5-6H2,1-2H3,(H,19,20,21);1H
InChIKeyQATIJOIEIIDEDG-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.58
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (PubChem CID 18770778) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
PubChem CID18770778
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc4c(c3)OCCO4)c2cc1OC.Cl
InChIInChI=1S/C18H17N3O4.ClH/c1-22-15-8-12-13(9-16(15)23-2)19-10-20-18(12)21-11-3-4-14-17(7-11)25-6-5-24-14;/h3-4,7-10H,5-6H2,1-2H3,(H,19,20,21);1H
InChIKeyQATIJOIEIIDEDG-UHFFFAOYSA-N
XLogP3.58
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine
CID 110434461
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinazoline-7-carboxylate
CID 6984794
N-(3-chloro-4-fluorophenyl)-6-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-7-methoxyquinazolin-4-amine
CID 121362271
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
1-(1,3-benzodioxol-5-ylmethyl)-3-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]thiourea
CID 59020544
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
CID 145270386
N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 67730103
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135035
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (CID 18770778) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3ccc4c(c3)OCCO4)c2cc1OC.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is QATIJOIEIIDEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4.ClH/c1-22-15-8-12-13(9-16(15)23-2)19-10-20-18(12)21-11-3-4-14-17(7-11)25-6-5-24-14;/h3-4,7-10H,5-6H2,1-2H3,(H,19,20,21);1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 375.81 g/mol, XLogP of 3.58, 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)-6,7-dimethoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 18770778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).