6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride

C17H25ClN6O5S — CID 166693156

IUPAC6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride
SMILESCOc1cc2ncnc(N3CCCN(C(=O)CNS(N)(=O)=O)CC3)c2cc1OC.Cl
InChIInChI=1S/C17H24N6O5S.ClH/c1-27-14-8-12-13(9-15(14)28-2)19-11-20-17(12)23-5-3-4-22(6-7-23)16(24)10-21-29(18,25)26;/h8-9,11,21H,3-7,10H2,1-2H3,(H2,18,25,26);1H
InChIKeyABENMPOTWDNDNI-UHFFFAOYSA-N
MW460.94 g/mol
LogP-0.10
Rot. Bonds6

About 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride

6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride (PubChem CID 166693156) has the molecular formula C17H25ClN6O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride
PubChem CID166693156
Molecular FormulaC17H25ClN6O5S
Molecular Weight460.94 g/mol
Exact Mass460.13
IUPAC Name6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride
SMILESCOc1cc2ncnc(N3CCCN(C(=O)CNS(N)(=O)=O)CC3)c2cc1OC.Cl
InChIInChI=1S/C17H24N6O5S.ClH/c1-27-14-8-12-13(9-15(14)28-2)19-11-20-17(12)23-5-3-4-22(6-7-23)16(24)10-21-29(18,25)26;/h8-9,11,21H,3-7,10H2,1-2H3,(H2,18,25,26);1H
InChIKeyABENMPOTWDNDNI-UHFFFAOYSA-N
XLogP-0.10
TPSA139.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazolin-3-ium
CID 156824036
6,7-dimethoxy-4-[4-[2-(sulfinatoamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride
CID 166693152
tert-butyl-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]carbamic acid
CID 155099988
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
2-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethylsulfamic acid;hydrochloride
CID 166071329
methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate;hydrochloride
CID 156824065
methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate
CID 156824066
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride
CID 156824086

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride (CID 166693156) is 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride is COc1cc2ncnc(N3CCCN(C(=O)CNS(N)(=O)=O)CC3)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride?
The InChIKey is ABENMPOTWDNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O5S.ClH/c1-27-14-8-12-13(9-15(14)28-2)19-11-20-17(12)23-5-3-4-22(6-7-23)16(24)10-21-29(18,25)26;/h8-9,11,21H,3-7,10H2,1-2H3,(H2,18,25,26);1H.
What are the key properties of 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride?
6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride has a molecular weight of 460.94 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride is sourced from PubChem (CID 166693156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).