6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline

C18H21N5O4S — CID 151000530

IUPAC6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
SMILESCOc1cc2ncnc(NCCc3ccc(NS(N)(=O)=O)cc3)c2cc1OC
InChIInChI=1S/C18H21N5O4S/c1-26-16-9-14-15(10-17(16)27-2)21-11-22-18(14)20-8-7-12-3-5-13(6-4-12)23-28(19,24)25/h3-6,9-11,23H,7-8H2,1-2H3,(H2,19,24,25)(H,20,21,22)
InChIKeyLTZUDQYODSIIAX-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.92
Rot. Bonds8

About 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline

6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline (PubChem CID 151000530) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
PubChem CID151000530
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
SMILESCOc1cc2ncnc(NCCc3ccc(NS(N)(=O)=O)cc3)c2cc1OC
InChIInChI=1S/C18H21N5O4S/c1-26-16-9-14-15(10-17(16)27-2)21-11-22-18(14)20-8-7-12-3-5-13(6-4-12)23-28(19,24)25/h3-6,9-11,23H,7-8H2,1-2H3,(H2,19,24,25)(H,20,21,22)
InChIKeyLTZUDQYODSIIAX-UHFFFAOYSA-N
XLogP1.92
TPSA128.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
CID 150898043
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline
CID 160601527
1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea
CID 59268828
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]phosphonous acid
CID 154672976
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid
CID 11441241
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
N-[4-[2-[(6,7-difluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 99811987

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline (CID 151000530) is 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline is COc1cc2ncnc(NCCc3ccc(NS(N)(=O)=O)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline?
The InChIKey is LTZUDQYODSIIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-26-16-9-14-15(10-17(16)27-2)21-11-22-18(14)20-8-7-12-3-5-13(6-4-12)23-28(19,24)25/h3-6,9-11,23H,7-8H2,1-2H3,(H2,19,24,25)(H,20,21,22).
What are the key properties of 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline?
6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline has a molecular weight of 403.46 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline is sourced from PubChem (CID 151000530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).