N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine

C28H23N3O6S — CID 54315991

IUPACN-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)c2cc1-c1ccc(C2OCCO2)o1
InChIInChI=1S/C28H23N3O6S/c1-34-26-16-23-21(15-22(26)24-11-12-25(37-24)28-35-13-14-36-28)27(30-17-29-23)31-18-7-9-20(10-8-18)38(32,33)19-5-3-2-4-6-19/h2-12,15-17,28H,13-14H2,1H3,(H,29,30,31)
InChIKeySOFCNVODIXFJSE-UHFFFAOYSA-N
MW529.57 g/mol
LogP5.52
Rot. Bonds7

About N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine

N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine (PubChem CID 54315991) has the molecular formula C28H23N3O6S and a molecular weight of 529.57 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine
PubChem CID54315991
Molecular FormulaC28H23N3O6S
Molecular Weight529.57 g/mol
Exact Mass529.13
IUPAC NameN-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)c2cc1-c1ccc(C2OCCO2)o1
InChIInChI=1S/C28H23N3O6S/c1-34-26-16-23-21(15-22(26)24-11-12-25(37-24)28-35-13-14-36-28)27(30-17-29-23)31-18-7-9-20(10-8-18)38(32,33)19-5-3-2-4-6-19/h2-12,15-17,28H,13-14H2,1H3,(H,29,30,31)
InChIKeySOFCNVODIXFJSE-UHFFFAOYSA-N
XLogP5.52
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.57
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine with MolForge

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Related Compounds

5-[4-[4-(benzenesulfonyl)anilino]-7-methoxyquinazolin-6-yl]furan-2-carbaldehyde;hydrochloride
CID 87510001
N-[4-[4-(benzenesulfonamido)anilino]-7-methoxyquinazolin-6-yl]propanamide
CID 134153313
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3235342
6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine
CID 71072748
N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)
CID 89173906
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 18770778
N-[4-(benzenesulfonyl)phenyl]-6-[3-(2-methylsulfonylethylamino)propyl]pyrido[3,4-d]pyrimidin-4-amine
CID 67565911
N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 67730103
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine?
The IUPAC name of N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine (CID 54315991) is N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine.
What is the SMILES notation for N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine?
The canonical SMILES for N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)c2cc1-c1ccc(C2OCCO2)o1.
What is the InChIKey of N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine?
The InChIKey is SOFCNVODIXFJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O6S/c1-34-26-16-23-21(15-22(26)24-11-12-25(37-24)28-35-13-14-36-28)27(30-17-29-23)31-18-7-9-20(10-8-18)38(32,33)19-5-3-2-4-6-19/h2-12,15-17,28H,13-14H2,1H3,(H,29,30,31).
What are the key properties of N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine?
N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine has a molecular weight of 529.57 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 54315991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).