3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride

C19H25Cl2N5O4S — CID 146050486

IUPAC3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride
SMILESCNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)c(OC)cc23)c1.Cl.Cl
InChIInChI=1S/C19H23N5O4S.2ClH/c1-20-29(25,26)12-6-7-16(24(2)3)15(8-12)23-19-13-9-17(27-4)18(28-5)10-14(13)21-11-22-19;;/h6-11,20H,1-5H3,(H,21,22,23);2*1H
InChIKeyQOLMHBTWSOOQAH-UHFFFAOYSA-N
MW490.41 g/mol
LogP3.21
Rot. Bonds7

About 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride

3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride (PubChem CID 146050486) has the molecular formula C19H25Cl2N5O4S and a molecular weight of 490.41 g/mol. Its IUPAC name is 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride
PubChem CID146050486
Molecular FormulaC19H25Cl2N5O4S
Molecular Weight490.41 g/mol
Exact Mass489.10
IUPAC Name3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride
SMILESCNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)c(OC)cc23)c1.Cl.Cl
InChIInChI=1S/C19H23N5O4S.2ClH/c1-20-29(25,26)12-6-7-16(24(2)3)15(8-12)23-19-13-9-17(27-4)18(28-5)10-14(13)21-11-22-19;;/h6-11,20H,1-5H3,(H,21,22,23);2*1H
InChIKeyQOLMHBTWSOOQAH-UHFFFAOYSA-N
XLogP3.21
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(6-aminoquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide
CID 52932687
2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride
CID 159721862
3-[(7-methoxy-6-methylquinazolin-4-yl)amino]-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 177005062
4-N-[2-(dimethylamino)-5-ethylsulfonylphenyl]-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 161453363
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
CID 16876526
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-methyl-4-(1,1,1-trifluoropropan-2-yloxy)benzenesulfonamide;2-[(6-iodo-7-methoxyquinazolin-4-yl)amino]-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 90450060
N-[5-ethylsulfonyl-2-(trifluoromethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetaldehyde
CID 162041782
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide
CID 10204016
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride?
The IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride (CID 146050486) is 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride.
What is the SMILES notation for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride?
The canonical SMILES for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride is CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)c(OC)cc23)c1.Cl.Cl.
What is the InChIKey of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride?
The InChIKey is QOLMHBTWSOOQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S.2ClH/c1-20-29(25,26)12-6-7-16(24(2)3)15(8-12)23-19-13-9-17(27-4)18(28-5)10-14(13)21-11-22-19;;/h6-11,20H,1-5H3,(H,21,22,23);2*1H.
What are the key properties of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride?
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride has a molecular weight of 490.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride is sourced from PubChem (CID 146050486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).