2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride

C20H24ClFN4O4S — CID 159721862

IUPAC2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride
SMILESCCS(=O)(=O)c1cc(Nc2ncnc3cc(OC)c(OC)cc23)c(N(C)C)cc1F.Cl
InChIInChI=1S/C20H23FN4O4S.ClH/c1-6-30(26,27)19-10-15(16(25(2)3)8-13(19)21)24-20-12-7-17(28-4)18(29-5)9-14(12)22-11-23-20;/h7-11H,6H2,1-5H3,(H,22,23,24);1H
InChIKeyLUCPTXNQZPJNCP-UHFFFAOYSA-N
MW470.95 g/mol
LogP3.81
Rot. Bonds7

About 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride

2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride (PubChem CID 159721862) has the molecular formula C20H24ClFN4O4S and a molecular weight of 470.95 g/mol. Its IUPAC name is 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride
PubChem CID159721862
Molecular FormulaC20H24ClFN4O4S
Molecular Weight470.95 g/mol
Exact Mass470.12
IUPAC Name2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride
SMILESCCS(=O)(=O)c1cc(Nc2ncnc3cc(OC)c(OC)cc23)c(N(C)C)cc1F.Cl
InChIInChI=1S/C20H23FN4O4S.ClH/c1-6-30(26,27)19-10-15(16(25(2)3)8-13(19)21)24-20-12-7-17(28-4)18(29-5)9-14(12)22-11-23-20;/h7-11H,6H2,1-5H3,(H,22,23,24);1H
InChIKeyLUCPTXNQZPJNCP-UHFFFAOYSA-N
XLogP3.81
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.95
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride with MolForge

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Related Compounds

3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride
CID 146050486
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
N-[5-ethylsulfonyl-2-(trifluoromethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetaldehyde
CID 162041782
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
4-N-[2-(dimethylamino)-5-ethylsulfonylphenyl]-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 161453363
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077494
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
N-[5-(2,6-difluoro-3-pyridinyl)-2-methoxyphenyl]-6-hexan-3-yloxy-7-methoxyquinazolin-4-amine
CID 167216065
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
[4-(5-chloro-4-fluoro-2-methylanilino)-7-methoxyquinazolin-6-yl] acetate
CID 173197249
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265

Frequently Asked Questions

What is the IUPAC name of 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride (CID 159721862) is 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride is CCS(=O)(=O)c1cc(Nc2ncnc3cc(OC)c(OC)cc23)c(N(C)C)cc1F.Cl.
What is the InChIKey of 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride?
The InChIKey is LUCPTXNQZPJNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4S.ClH/c1-6-30(26,27)19-10-15(16(25(2)3)8-13(19)21)24-20-12-7-17(28-4)18(29-5)9-14(12)22-11-23-20;/h7-11H,6H2,1-5H3,(H,22,23,24);1H.
What are the key properties of 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride?
2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride has a molecular weight of 470.95 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride is sourced from PubChem (CID 159721862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).