4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide

C18H22N6O2S — CID 123833797

IUPAC4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide
SMILESCNc1ccc2ncnc(Nc3cc(S(N)(=O)=O)ccc3CN(C)C)c2c1
InChIInChI=1S/C18H22N6O2S/c1-20-13-5-7-16-15(8-13)18(22-11-21-16)23-17-9-14(27(19,25)26)6-4-12(17)10-24(2)3/h4-9,11,20H,10H2,1-3H3,(H2,19,25,26)(H,21,22,23)
InChIKeyDCHHSKQMORERFL-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.12
Rot. Bonds6

About 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide

4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide (PubChem CID 123833797) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide
PubChem CID123833797
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide
SMILESCNc1ccc2ncnc(Nc3cc(S(N)(=O)=O)ccc3CN(C)C)c2c1
InChIInChI=1S/C18H22N6O2S/c1-20-13-5-7-16-15(8-13)18(22-11-21-16)23-17-9-14(27(19,25)26)6-4-12(17)10-24(2)3/h4-9,11,20H,10H2,1-3H3,(H2,19,25,26)(H,21,22,23)
InChIKeyDCHHSKQMORERFL-UHFFFAOYSA-N
XLogP2.12
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(6-aminoquinazolin-4-yl)amino]-4-[(dimethylamino)methyl]benzenesulfonamide
CID 67168217
4-N-[2-(dimethylamino)-5-ethylsulfonylphenyl]-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 161453363
3-[(6-aminoquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide
CID 52932687
1-[4-(4-methylanilino)quinazolin-6-yl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 164628628
4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342890
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
4-(5-ethylsulfonyl-2-hydroxyanilino)quinazoline-7-carboxylic acid
CID 1414261
(E)-N-(4-anilinoquinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 69317465
2-chloro-2-fluoroacetaldehyde;4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342889
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride
CID 146050486
N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
CID 141333726

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide (CID 123833797) is 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide is CNc1ccc2ncnc(Nc3cc(S(N)(=O)=O)ccc3CN(C)C)c2c1.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide?
The InChIKey is DCHHSKQMORERFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-20-13-5-7-16-15(8-13)18(22-11-21-16)23-17-9-14(27(19,25)26)6-4-12(17)10-24(2)3/h4-9,11,20H,10H2,1-3H3,(H2,19,25,26)(H,21,22,23).
What are the key properties of 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide?
4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 123833797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).