2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide

C22H20Cl2N5O2S2- — CID 142852286

IUPAC2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CCSC[NH-])n1
InChIInChI=1S/C22H20Cl2N5O2S2/c1-30-19-7-15-18(26-12-27-22(15)29-13-2-3-16(23)17(24)6-13)8-20(19)31-9-14-10-33-21(28-14)4-5-32-11-25/h2-3,6-8,10,12,25H,4-5,9,11H2,1H3,(H,26,27,29)/q-1
InChIKeyAFALYMSPUANPSH-UHFFFAOYSA-N
MW521.48 g/mol
LogP7.01
Rot. Bonds10

About 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide

2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide (PubChem CID 142852286) has the molecular formula C22H20Cl2N5O2S2- and a molecular weight of 521.48 g/mol. Its IUPAC name is 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide.

Molecular Properties

Compound Name2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide
PubChem CID142852286
Molecular FormulaC22H20Cl2N5O2S2-
Molecular Weight521.48 g/mol
Exact Mass520.04
IUPAC Name2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CCSC[NH-])n1
InChIInChI=1S/C22H20Cl2N5O2S2/c1-30-19-7-15-18(26-12-27-22(15)29-13-2-3-16(23)17(24)6-13)8-20(19)31-9-14-10-33-21(28-14)4-5-32-11-25/h2-3,6-8,10,12,25H,4-5,9,11H2,1H3,(H,26,27,29)/q-1
InChIKeyAFALYMSPUANPSH-UHFFFAOYSA-N
XLogP7.01
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.48
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
CID 70946712
7-[[3-(4-aminobutyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 71085596
N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine
CID 76614830
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 10073562
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole
CID 145016681
N-(3,4-dichlorophenyl)-6-methoxy-7-[(2-methyl-5-phenyl-2H-imidazol-3-ium-4-yl)methoxy]quinazolin-4-amine chloride
CID 58617001
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
6-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 42644683
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide?
The IUPAC name of 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide (CID 142852286) is 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide.
What is the SMILES notation for 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide?
The canonical SMILES for 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide is COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CCSC[NH-])n1.
What is the InChIKey of 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide?
The InChIKey is AFALYMSPUANPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N5O2S2/c1-30-19-7-15-18(26-12-27-22(15)29-13-2-3-16(23)17(24)6-13)8-20(19)31-9-14-10-33-21(28-14)4-5-32-11-25/h2-3,6-8,10,12,25H,4-5,9,11H2,1H3,(H,26,27,29)/q-1.
What are the key properties of 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide?
2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide has a molecular weight of 521.48 g/mol, XLogP of 7.01, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide is sourced from PubChem (CID 142852286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).