[4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate

C24H30ClN5O4S — CID 139925324

IUPAC[4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate
SMILESCOc1cccc2c(Nc3ccc(Cl)cc3)nc(NC3CCC(COS(=O)(=O)N(C)C)CC3)nc12
InChIInChI=1S/C24H30ClN5O4S/c1-30(2)35(31,32)34-15-16-7-11-19(12-8-16)27-24-28-22-20(5-4-6-21(22)33-3)23(29-24)26-18-13-9-17(25)10-14-18/h4-6,9-10,13-14,16,19H,7-8,11-12,15H2,1-3H3,(H2,26,27,28,29)
InChIKeyZZYLSSJRZSBGJY-UHFFFAOYSA-N
MW520.06 g/mol
LogP4.83
Rot. Bonds9

About [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate

[4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate (PubChem CID 139925324) has the molecular formula C24H30ClN5O4S and a molecular weight of 520.06 g/mol. Its IUPAC name is [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate.

Molecular Properties

Compound Name[4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate
PubChem CID139925324
Molecular FormulaC24H30ClN5O4S
Molecular Weight520.06 g/mol
Exact Mass519.17
IUPAC Name[4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate
SMILESCOc1cccc2c(Nc3ccc(Cl)cc3)nc(NC3CCC(COS(=O)(=O)N(C)C)CC3)nc12
InChIInChI=1S/C24H30ClN5O4S/c1-30(2)35(31,32)34-15-16-7-11-19(12-8-16)27-24-28-22-20(5-4-6-21(22)33-3)23(29-24)26-18-13-9-17(25)10-14-18/h4-6,9-10,13-14,16,19H,7-8,11-12,15H2,1-3H3,(H2,26,27,28,29)
InChIKeyZZYLSSJRZSBGJY-UHFFFAOYSA-N
XLogP4.83
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.06
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate with MolForge

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Related Compounds

8-(3-Dimethylaminopropoxy)-2-[(2-methylphenyl)amino]-4-(N-methylphenylamino)quinazoline
CID 10003444
8-Methoxy-N*2*-methyl-N*2*-phenyl-N*4*-o-tolyl-quinazoline-2,4-diamine
CID 10022071
4-(N-Methylphenylamino)-2-(2-methylphenylamino)-8-methoxyquinazoline
CID 10067754
N*2*-(4-Fluoro-2-methyl-phenyl)-8-methoxy-N*4*-methyl-N*4*-phenyl-quinazoline-2,4-diamine
CID 10068853
8-(3-Dimethylamino-propoxy)-N*2*-(4-fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-quinazoline-2,4-diamine
CID 10072913
8-Methoxy-2,4-bis(2-methylphenylamino)quinazoline
CID 10248595
2-Amino-4-(2-methylphenylamino)-8-methoxyquinazoline
CID 10265671
2,4-bis-(N-methylphenylamino)-8-methoxyquinazoline
CID 10339142
8-Methoxy-N*2*-methyl-N*4*-o-tolyl-quinazoline-2,4-diamine
CID 11779224
N4-benzyl-N2-(2-methoxyphenyl)quinazoline-2,4-diamine hydrochloride
CID 2909234
8-Methoxy-N*4*-methyl-N*2*,N*4*-di-o-tolyl-quinazoline-2,4-diamine
CID 10022914
2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 10318929

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate?
The IUPAC name of [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate (CID 139925324) is [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate.
What is the SMILES notation for [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate?
The canonical SMILES for [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate is COc1cccc2c(Nc3ccc(Cl)cc3)nc(NC3CCC(COS(=O)(=O)N(C)C)CC3)nc12.
What is the InChIKey of [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate?
The InChIKey is ZZYLSSJRZSBGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O4S/c1-30(2)35(31,32)34-15-16-7-11-19(12-8-16)27-24-28-22-20(5-4-6-21(22)33-3)23(29-24)26-18-13-9-17(25)10-14-18/h4-6,9-10,13-14,16,19H,7-8,11-12,15H2,1-3H3,(H2,26,27,28,29).
What are the key properties of [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate?
[4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate has a molecular weight of 520.06 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-chloroanilino)-8-methoxyquinazolin-2-yl]amino]cyclohexyl]methyl N,N-dimethylsulfamate is sourced from PubChem (CID 139925324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).