6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline

C16H23N5O4S — CID 164991759

IUPAC6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
SMILESCOCOc1cc2c(N3CC(CCNS(N)(=O)=O)C3)ncnc2cc1C
InChIInChI=1S/C16H23N5O4S/c1-11-5-14-13(6-15(11)25-10-24-2)16(19-9-18-14)21-7-12(8-21)3-4-20-26(17,22)23/h5-6,9,12,20H,3-4,7-8,10H2,1-2H3,(H2,17,22,23)
InChIKeyGYMVJNROYFGSSC-UHFFFAOYSA-N
MW381.46 g/mol
LogP0.54
Rot. Bonds8

About 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline

6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline (PubChem CID 164991759) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
PubChem CID164991759
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
SMILESCOCOc1cc2c(N3CC(CCNS(N)(=O)=O)C3)ncnc2cc1C
InChIInChI=1S/C16H23N5O4S/c1-11-5-14-13(6-15(11)25-10-24-2)16(19-9-18-14)21-7-12(8-21)3-4-20-26(17,22)23/h5-6,9,12,20H,3-4,7-8,10H2,1-2H3,(H2,17,22,23)
InChIKeyGYMVJNROYFGSSC-UHFFFAOYSA-N
XLogP0.54
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-methoxyquinazolin-4-amine
CID 5328029
N4-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 509545
1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 121255052
6-Methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
CID 137536915
6-methoxy-7-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine
CID 137652778
2-cyclohexyl-7-[3-(dimethylamino)prop-1-ynyl]-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 155511077
7-(3-aminopropyl)-2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 155517958
6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine
CID 155523641
7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CID 155557402
2-cyclohexyl-7-[3-(dimethylamino)propyl]-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 155558337
N-Benzyl-4-(6-methoxy-7-methyl-4-quinazolinyl)-1-piperazinethiocarboxamide
CID 11350308
4-N-butyl-6-methoxyquinazoline-2,4-diamine
CID 71041908

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
The IUPAC name of 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline (CID 164991759) is 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline.
What is the SMILES notation for 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
The canonical SMILES for 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline is COCOc1cc2c(N3CC(CCNS(N)(=O)=O)C3)ncnc2cc1C.
What is the InChIKey of 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
The InChIKey is GYMVJNROYFGSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-11-5-14-13(6-15(11)25-10-24-2)16(19-9-18-14)21-7-12(8-21)3-4-20-26(17,22)23/h5-6,9,12,20H,3-4,7-8,10H2,1-2H3,(H2,17,22,23).
What are the key properties of 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline has a molecular weight of 381.46 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline is sourced from PubChem (CID 164991759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).