2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate

C20H28N4O6S — CID 175385661

IUPAC2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate
SMILESCOc1cc2nc(OC3CC3)nc(N3CCC(CCOS(N)(=O)=O)CC3)c2cc1OC
InChIInChI=1S/C20H28N4O6S/c1-27-17-11-15-16(12-18(17)28-2)22-20(30-14-3-4-14)23-19(15)24-8-5-13(6-9-24)7-10-29-31(21,25)26/h11-14H,3-10H2,1-2H3,(H2,21,25,26)
InChIKeyOVXGBKRAGZAVRQ-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.01
Rot. Bonds9

About 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate

2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate (PubChem CID 175385661) has the molecular formula C20H28N4O6S and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate.

Molecular Properties

Compound Name2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate
PubChem CID175385661
Molecular FormulaC20H28N4O6S
Molecular Weight452.53 g/mol
Exact Mass452.17
IUPAC Name2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate
SMILESCOc1cc2nc(OC3CC3)nc(N3CCC(CCOS(N)(=O)=O)CC3)c2cc1OC
InChIInChI=1S/C20H28N4O6S/c1-27-17-11-15-16(12-18(17)28-2)22-20(30-14-3-4-14)23-19(15)24-8-5-13(6-9-24)7-10-29-31(21,25)26/h11-14H,3-10H2,1-2H3,(H2,21,25,26)
InChIKeyOVXGBKRAGZAVRQ-UHFFFAOYSA-N
XLogP2.01
TPSA126.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate 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-[1-(3,6,7-trimethoxyquinolin-4-yl)piperidin-4-yl]ethyl sulfamate
CID 175341820
2-[1-(3-fluoro-6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl sulfamate
CID 175341918
2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol
CID 175341793
2-amino-6,7-dimethoxy-4-[4-[2-(sulfinatoamino)ethyl]piperidin-1-yl]quinazoline
CID 154630897
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine
CID 153348949
2-[1-[6,7-dimethoxy-2-oxo-1-(2-piperidin-4-ylethyl)quinolin-4-yl]piperidin-4-yl]ethyl sulfamate
CID 175341954
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
4-chloro-6,7-dimethoxy-N,N-dimethylquinazolin-2-amine;4-chloro-6,7-dimethoxyquinazolin-2-amine;2-(dimethylamino)-6,7-dimethoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;4-[2-(sulfamoylamino)ethyl]piperidine
CID 158110696

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate?
The IUPAC name of 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate (CID 175385661) is 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate.
What is the SMILES notation for 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate?
The canonical SMILES for 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate is COc1cc2nc(OC3CC3)nc(N3CCC(CCOS(N)(=O)=O)CC3)c2cc1OC.
What is the InChIKey of 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate?
The InChIKey is OVXGBKRAGZAVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6S/c1-27-17-11-15-16(12-18(17)28-2)22-20(30-14-3-4-14)23-19(15)24-8-5-13(6-9-24)7-10-29-31(21,25)26/h11-14H,3-10H2,1-2H3,(H2,21,25,26).
What are the key properties of 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate?
2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate has a molecular weight of 452.53 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate is sourced from PubChem (CID 175385661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).