6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline

C13H19N5O3S — CID 160601527

IUPAC6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline
SMILESCOc1cc2c(NCCCNS(N)(=O)=O)ncnc2cc1C
InChIInChI=1S/C13H19N5O3S/c1-9-6-11-10(7-12(9)21-2)13(17-8-16-11)15-4-3-5-18-22(14,19)20/h6-8,18H,3-5H2,1-2H3,(H2,14,19,20)(H,15,16,17)
InChIKeyCVEKNTJJEQGKKG-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.54
Rot. Bonds7

About 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline

6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline (PubChem CID 160601527) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline.

Molecular Properties

Compound Name6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline
PubChem CID160601527
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline
SMILESCOc1cc2c(NCCCNS(N)(=O)=O)ncnc2cc1C
InChIInChI=1S/C13H19N5O3S/c1-9-6-11-10(7-12(9)21-2)13(17-8-16-11)15-4-3-5-18-22(14,19)20/h6-8,18H,3-5H2,1-2H3,(H2,14,19,20)(H,15,16,17)
InChIKeyCVEKNTJJEQGKKG-UHFFFAOYSA-N
XLogP0.54
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(amino-methylidene-oxo-λ6-sulfanyl)-4-(6,7-dimethylquinazolin-4-yl)sulfanylbutan-1-amine;N-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]pentyl]methanesulfonamide
CID 162239078
6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
CID 151000530
7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol
CID 59068661
N-[3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332310
6,7-dimethoxy-4-[4-[3-(sulfamoylamino)propyl]-1,4-diazepan-1-yl]quinazoline
CID 166712968
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
CID 150898043
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
CID 7174370
6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 142857826
N-[3-[(5-methoxyisoquinolin-1-yl)amino]propyl]methanesulfonamide
CID 106337312

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline?
The IUPAC name of 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline (CID 160601527) is 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline.
What is the SMILES notation for 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline?
The canonical SMILES for 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline is COc1cc2c(NCCCNS(N)(=O)=O)ncnc2cc1C.
What is the InChIKey of 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline?
The InChIKey is CVEKNTJJEQGKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-9-6-11-10(7-12(9)21-2)13(17-8-16-11)15-4-3-5-18-22(14,19)20/h6-8,18H,3-5H2,1-2H3,(H2,14,19,20)(H,15,16,17).
What are the key properties of 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline?
6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline has a molecular weight of 325.39 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline is sourced from PubChem (CID 160601527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).