2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid

C18H25N5O6S — CID 155125453

IUPAC2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
SMILESCOc1cc2ncnc(N3CCC(CCNS(=O)(=O)NC(=O)O)CC3)c2cc1OC
InChIInChI=1S/C18H25N5O6S/c1-28-15-9-13-14(10-16(15)29-2)19-11-20-17(13)23-7-4-12(5-8-23)3-6-21-30(26,27)22-18(24)25/h9-12,21-22H,3-8H2,1-2H3,(H,24,25)
InChIKeyFMPMXEUXPFDYDP-UHFFFAOYSA-N
MW439.49 g/mol
LogP1.36
Rot. Bonds8

About 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid

2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid (PubChem CID 155125453) has the molecular formula C18H25N5O6S and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid.

Molecular Properties

Compound Name2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
PubChem CID155125453
Molecular FormulaC18H25N5O6S
Molecular Weight439.49 g/mol
Exact Mass439.15
IUPAC Name2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
SMILESCOc1cc2ncnc(N3CCC(CCNS(=O)(=O)NC(=O)O)CC3)c2cc1OC
InChIInChI=1S/C18H25N5O6S/c1-28-15-9-13-14(10-16(15)29-2)19-11-20-17(13)23-7-4-12(5-8-23)3-6-21-30(26,27)22-18(24)25/h9-12,21-22H,3-8H2,1-2H3,(H,24,25)
InChIKeyFMPMXEUXPFDYDP-UHFFFAOYSA-N
XLogP1.36
TPSA142.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine
CID 163275192
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
N-(difluoromethylsulfanyl)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanamine
CID 142539742
tert-butyl N-[3-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]propylsulfamoyl]carbamate
CID 166712993
[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate
CID 155125456
6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
CID 159739862
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468581
7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
CID 54583395

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid?
The IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid (CID 155125453) is 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid.
What is the SMILES notation for 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid?
The canonical SMILES for 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid is COc1cc2ncnc(N3CCC(CCNS(=O)(=O)NC(=O)O)CC3)c2cc1OC.
What is the InChIKey of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid?
The InChIKey is FMPMXEUXPFDYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O6S/c1-28-15-9-13-14(10-16(15)29-2)19-11-20-17(13)23-7-4-12(5-8-23)3-6-21-30(26,27)22-18(24)25/h9-12,21-22H,3-8H2,1-2H3,(H,24,25).
What are the key properties of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid?
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid has a molecular weight of 439.49 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid is sourced from PubChem (CID 155125453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).