methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate

C16H21N5O5S — CID 156824066

IUPACmethyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate
SMILESCOC(=O)c1cc2ncnc(N3CCCN(S(N)(=O)=O)CC3)c2cc1OC
InChIInChI=1S/C16H21N5O5S/c1-25-14-9-11-13(8-12(14)16(22)26-2)18-10-19-15(11)20-4-3-5-21(7-6-20)27(17,23)24/h8-10H,3-7H2,1-2H3,(H2,17,23,24)
InChIKeyUYGSBRCICKJZQV-UHFFFAOYSA-N
MW395.44 g/mol
LogP0.14
Rot. Bonds4

About methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate

methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate (PubChem CID 156824066) has the molecular formula C16H21N5O5S and a molecular weight of 395.44 g/mol. Its IUPAC name is methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate
PubChem CID156824066
Molecular FormulaC16H21N5O5S
Molecular Weight395.44 g/mol
Exact Mass395.13
IUPAC Namemethyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate
SMILESCOC(=O)c1cc2ncnc(N3CCCN(S(N)(=O)=O)CC3)c2cc1OC
InChIInChI=1S/C16H21N5O5S/c1-25-14-9-11-13(8-12(14)16(22)26-2)18-10-19-15(11)20-4-3-5-21(7-6-20)27(17,23)24/h8-10H,3-7H2,1-2H3,(H2,17,23,24)
InChIKeyUYGSBRCICKJZQV-UHFFFAOYSA-N
XLogP0.14
TPSA127.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate with MolForge

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Related Compounds

methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate;hydrochloride
CID 156824065
methyl 6-methyl-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate
CID 159465308
4-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-6,7-dimethoxyquinazoline
CID 154582894
6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride
CID 166693156
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
6,7-dimethoxy-4-[4-[3-(sulfamoylamino)propyl]-1,4-diazepan-1-yl]quinazoline
CID 166712968
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride
CID 156824086
2-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethylsulfamic acid;hydrochloride
CID 166071329
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
4-(azetidin-1-yl)-6-ethyl-7-methoxyquinazoline
CID 176978917
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate?
The IUPAC name of methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate (CID 156824066) is methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate.
What is the SMILES notation for methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate?
The canonical SMILES for methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate is COC(=O)c1cc2ncnc(N3CCCN(S(N)(=O)=O)CC3)c2cc1OC.
What is the InChIKey of methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate?
The InChIKey is UYGSBRCICKJZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O5S/c1-25-14-9-11-13(8-12(14)16(22)26-2)18-10-19-15(11)20-4-3-5-21(7-6-20)27(17,23)24/h8-10H,3-7H2,1-2H3,(H2,17,23,24).
What are the key properties of methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate?
methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate has a molecular weight of 395.44 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate is sourced from PubChem (CID 156824066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).