N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride

C20H16ClN3O3 — CID 90645237

IUPACN-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride
SMILESCl.c1cc(Nc2ncnc3cc4c(cc23)OCCO4)cc(-c2ccco2)c1
InChIInChI=1S/C20H15N3O3.ClH/c1-3-13(17-5-2-6-24-17)9-14(4-1)23-20-15-10-18-19(26-8-7-25-18)11-16(15)21-12-22-20;/h1-6,9-12H,7-8H2,(H,21,22,23);1H
InChIKeyGAJQPJGSOQBXHY-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.83
Rot. Bonds3

About N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride

N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride (PubChem CID 90645237) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride
PubChem CID90645237
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride
SMILESCl.c1cc(Nc2ncnc3cc4c(cc23)OCCO4)cc(-c2ccco2)c1
InChIInChI=1S/C20H15N3O3.ClH/c1-3-13(17-5-2-6-24-17)9-14(4-1)23-20-15-10-18-19(26-8-7-25-18)11-16(15)21-12-22-20;/h1-6,9-12H,7-8H2,(H,21,22,23);1H
InChIKeyGAJQPJGSOQBXHY-UHFFFAOYSA-N
XLogP4.83
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride?
The IUPAC name of N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride (CID 90645237) is N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride is Cl.c1cc(Nc2ncnc3cc4c(cc23)OCCO4)cc(-c2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride?
The InChIKey is GAJQPJGSOQBXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3.ClH/c1-3-13(17-5-2-6-24-17)9-14(4-1)23-20-15-10-18-19(26-8-7-25-18)11-16(15)21-12-22-20;/h1-6,9-12H,7-8H2,(H,21,22,23);1H.
What are the key properties of N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride?
N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride has a molecular weight of 381.82 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 90645237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).