N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride

C21H20ClN3O4 — CID 67730150

IUPACN-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(OCc4ccco4)cc3)c2cc1OC.Cl
InChIInChI=1S/C21H19N3O4.ClH/c1-25-19-10-17-18(11-20(19)26-2)22-13-23-21(17)24-14-5-7-15(8-6-14)28-12-16-4-3-9-27-16;/h3-11,13H,12H2,1-2H3,(H,22,23,24);1H
InChIKeyXOMXGXAXIJYYNI-UHFFFAOYSA-N
MW413.86 g/mol
LogP4.98
Rot. Bonds7

About N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride

N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride (PubChem CID 67730150) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
PubChem CID67730150
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC NameN-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(OCc4ccco4)cc3)c2cc1OC.Cl
InChIInChI=1S/C21H19N3O4.ClH/c1-25-19-10-17-18(11-20(19)26-2)22-13-23-21(17)24-14-5-7-15(8-6-14)28-12-16-4-3-9-27-16;/h3-11,13H,12H2,1-2H3,(H,22,23,24);1H
InChIKeyXOMXGXAXIJYYNI-UHFFFAOYSA-N
XLogP4.98
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine
CID 22030706
6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine
CID 122628730
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 18770778
N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 67730103
N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide
CID 134138310
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
CID 122628612
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
CID 145172275

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride (CID 67730150) is N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3ccc(OCc4ccco4)cc3)c2cc1OC.Cl.
What is the InChIKey of N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is XOMXGXAXIJYYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4.ClH/c1-25-19-10-17-18(11-20(19)26-2)22-13-23-21(17)24-14-5-7-15(8-6-14)28-12-16-4-3-9-27-16;/h3-11,13H,12H2,1-2H3,(H,22,23,24);1H.
What are the key properties of N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 413.86 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 67730150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).