N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide

C70H76N16O12S4 — CID 162253272

IUPACN-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide
SMILESC=S(N)(=O)c1ccc(CNc2ncnc3cc(OC)c(OC)cc23)cc1.C=S(N)(=O)c1ccc(CNc2ncnc3cc(OC)ccc23)cc1.COc1cc2nc(C)nc(NCc3ccc(S(N)(=O)=O)cc3)c2cc1OC.COc1ccc2c(NCc3ccc(S(N)(=O)=O)cc3)nc(C)nc2c1
InChIInChI=1S/C18H20N4O4S.C18H20N4O3S.C17H18N4O3S.C17H18N4O2S/c1-11-21-15-9-17(26-3)16(25-2)8-14(15)18(22-11)20-10-12-4-6-13(7-5-12)27(19,23)24;1-24-16-8-14-15(9-17(16)25-2)21-11-22-18(14)20-10-12-4-6-13(7-5-12)26(3,19)23;1-11-20-16-9-13(24-2)5-8-15(16)17(21-11)19-10-12-3-6-14(7-4-12)25(18,22)23;1-23-13-5-8-15-16(9-13)20-11-21-17(15)19-10-12-3-6-14(7-4-12)24(2,18)22/h4-9H,10H2,1-3H3,(H2,19,23,24)(H,20,21,22);4-9,11H,3,10H2,1-2H3,(H2,19,23)(H,20,21,22);3-9H,10H2,1-2H3,(H2,18,22,23)(H,19,20,21);3-9,11H,2,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyZYGNQDLQYTVUJX-UHFFFAOYSA-N
MW1461.75 g/mol
LogP8.83
Rot. Bonds22

About N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide

N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 162253272) has the molecular formula C70H76N16O12S4 and a molecular weight of 1461.75 g/mol. Its IUPAC name is N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID162253272
Molecular FormulaC70H76N16O12S4
Molecular Weight1461.75 g/mol
Exact Mass1460.47
IUPAC NameN-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide
SMILESC=S(N)(=O)c1ccc(CNc2ncnc3cc(OC)c(OC)cc23)cc1.C=S(N)(=O)c1ccc(CNc2ncnc3cc(OC)ccc23)cc1.COc1cc2nc(C)nc(NCc3ccc(S(N)(=O)=O)cc3)c2cc1OC.COc1ccc2c(NCc3ccc(S(N)(=O)=O)cc3)nc(C)nc2c1
InChIInChI=1S/C18H20N4O4S.C18H20N4O3S.C17H18N4O3S.C17H18N4O2S/c1-11-21-15-9-17(26-3)16(25-2)8-14(15)18(22-11)20-10-12-4-6-13(7-5-12)27(19,23)24;1-24-16-8-14-15(9-17(16)25-2)21-11-22-18(14)20-10-12-4-6-13(7-5-12)26(3,19)23;1-11-20-16-9-13(24-2)5-8-15(16)17(21-11)19-10-12-3-6-14(7-4-12)25(18,22)23;1-23-13-5-8-15-16(9-13)20-11-21-17(15)19-10-12-3-6-14(7-4-12)24(2,18)22/h4-9H,10H2,1-3H3,(H2,19,23,24)(H,20,21,22);4-9,11H,3,10H2,1-2H3,(H2,19,23)(H,20,21,22);3-9H,10H2,1-2H3,(H2,18,22,23)(H,19,20,21);3-9,11H,2,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyZYGNQDLQYTVUJX-UHFFFAOYSA-N
XLogP8.83
TPSA413.12 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001461.75
LogP ≤ 58.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine
CID 68515659
4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 22222239
bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium
CID 155026757
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]phosphonous acid
CID 154672976
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
ethyl 2-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate;molecular hydrogen
CID 157094812
N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine
CID 155524525
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
CID 151000530
3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane
CID 142432961
4-[4-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-3,6-dioxocyclohexa-1,4-dien-1-yl]oxybenzenesulfonamide
CID 11584517

Frequently Asked Questions

What is the IUPAC name of N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide (CID 162253272) is N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide is C=S(N)(=O)c1ccc(CNc2ncnc3cc(OC)c(OC)cc23)cc1.C=S(N)(=O)c1ccc(CNc2ncnc3cc(OC)ccc23)cc1.COc1cc2nc(C)nc(NCc3ccc(S(N)(=O)=O)cc3)c2cc1OC.COc1ccc2c(NCc3ccc(S(N)(=O)=O)cc3)nc(C)nc2c1.
What is the InChIKey of N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is ZYGNQDLQYTVUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S.C18H20N4O3S.C17H18N4O3S.C17H18N4O2S/c1-11-21-15-9-17(26-3)16(25-2)8-14(15)18(22-11)20-10-12-4-6-13(7-5-12)27(19,23)24;1-24-16-8-14-15(9-17(16)25-2)21-11-22-18(14)20-10-12-4-6-13(7-5-12)26(3,19)23;1-11-20-16-9-13(24-2)5-8-15(16)17(21-11)19-10-12-3-6-14(7-4-12)25(18,22)23;1-23-13-5-8-15-16(9-13)20-11-21-17(15)19-10-12-3-6-14(7-4-12)24(2,18)22/h4-9H,10H2,1-3H3,(H2,19,23,24)(H,20,21,22);4-9,11H,3,10H2,1-2H3,(H2,19,23)(H,20,21,22);3-9H,10H2,1-2H3,(H2,18,22,23)(H,19,20,21);3-9,11H,2,10H2,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide?
N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 1461.75 g/mol, XLogP of 8.83, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 162253272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).