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

C48H71Cl2N15O10S2 — CID 158110696

IUPAC4-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
SMILESCOc1cc2nc(N(C)C)nc(Cl)c2cc1OC.COc1cc2nc(N(C)C)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.COc1cc2nc(N)nc(Cl)c2cc1OC.NS(=O)(=O)NCCC1CCNCC1
InChIInChI=1S/C19H30N6O4S.C12H14ClN3O2.C10H10ClN3O2.C7H17N3O2S/c1-24(2)19-22-15-12-17(29-4)16(28-3)11-14(15)18(23-19)25-9-6-13(7-10-25)5-8-21-30(20,26)27;1-16(2)12-14-8-6-10(18-4)9(17-3)5-7(8)11(13)15-12;1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11;8-13(11,12)10-6-3-7-1-4-9-5-2-7/h11-13,21H,5-10H2,1-4H3,(H2,20,26,27);5-6H,1-4H3;3-4H,1-2H3,(H2,12,13,14);7,9-10H,1-6H2,(H2,8,11,12)
InChIKeyFQJWQQWRILCODX-UHFFFAOYSA-N
MW1153.23 g/mol
LogP4.53
Rot. Bonds17

About 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

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 (PubChem CID 158110696) has the molecular formula C48H71Cl2N15O10S2 and a molecular weight of 1153.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158110696
Molecular FormulaC48H71Cl2N15O10S2
Molecular Weight1153.23 g/mol
Exact Mass1151.43
IUPAC Name4-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
SMILESCOc1cc2nc(N(C)C)nc(Cl)c2cc1OC.COc1cc2nc(N(C)C)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.COc1cc2nc(N)nc(Cl)c2cc1OC.NS(=O)(=O)NCCC1CCNCC1
InChIInChI=1S/C19H30N6O4S.C12H14ClN3O2.C10H10ClN3O2.C7H17N3O2S/c1-24(2)19-22-15-12-17(29-4)16(28-3)11-14(15)18(23-19)25-9-6-13(7-10-25)5-8-21-30(20,26)27;1-16(2)12-14-8-6-10(18-4)9(17-3)5-7(8)11(13)15-12;1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11;8-13(11,12)10-6-3-7-1-4-9-5-2-7/h11-13,21H,5-10H2,1-4H3,(H2,20,26,27);5-6H,1-4H3;3-4H,1-2H3,(H2,12,13,14);7,9-10H,1-6H2,(H2,8,11,12)
InChIKeyFQJWQQWRILCODX-UHFFFAOYSA-N
XLogP4.53
TPSA324.87 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.23
LogP ≤ 54.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6,7-dimethoxy-4-[4-[2-(sulfinatoamino)ethyl]piperidin-1-yl]quinazoline
CID 154630897
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine
CID 161109692
benzyl N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]carbamate;benzyl N-(2-piperidin-4-ylethyl)carbamate;4-chloro-6,7-dimethoxyquinoline;2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethanamine;6,7-dimethoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinoline;sulfamoyl chloride
CID 161300728
2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol
CID 175341793
7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
CID 54583395
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate
CID 175385661
S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine
CID 153348949
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
2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137425

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2nc(N(C)C)nc(Cl)c2cc1OC.COc1cc2nc(N(C)C)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.COc1cc2nc(N)nc(Cl)c2cc1OC.NS(=O)(=O)NCCC1CCNCC1.
What is the InChIKey of 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?
The InChIKey is FQJWQQWRILCODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O4S.C12H14ClN3O2.C10H10ClN3O2.C7H17N3O2S/c1-24(2)19-22-15-12-17(29-4)16(28-3)11-14(15)18(23-19)25-9-6-13(7-10-25)5-8-21-30(20,26)27;1-16(2)12-14-8-6-10(18-4)9(17-3)5-7(8)11(13)15-12;1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11;8-13(11,12)10-6-3-7-1-4-9-5-2-7/h11-13,21H,5-10H2,1-4H3,(H2,20,26,27);5-6H,1-4H3;3-4H,1-2H3,(H2,12,13,14);7,9-10H,1-6H2,(H2,8,11,12).
What are the key properties of 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?
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 has a molecular weight of 1153.23 g/mol, XLogP of 4.53, 17 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158110696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).