ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C26H29N5O7S — CID 10144129

IUPACethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)c3cc(OC)c(OC)cc3n2)nc1C
InChIInChI=1S/C26H29N5O7S/c1-8-38-24(32)22-13(2)27-26(39-22)31-25-29-16-12-18(34-4)17(33-3)11-15(16)23(30-25)28-14-9-19(35-5)21(37-7)20(10-14)36-6/h9-12H,8H2,1-7H3,(H2,27,28,29,30,31)
InChIKeyPIZOQTBZPOHJAB-UHFFFAOYSA-N
MW555.61 g/mol
LogP5.10
Rot. Bonds11

About ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 10144129) has the molecular formula C26H29N5O7S and a molecular weight of 555.61 g/mol. Its IUPAC name is ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID10144129
Molecular FormulaC26H29N5O7S
Molecular Weight555.61 g/mol
Exact Mass555.18
IUPAC Nameethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)c3cc(OC)c(OC)cc3n2)nc1C
InChIInChI=1S/C26H29N5O7S/c1-8-38-24(32)22-13(2)27-26(39-22)31-25-29-16-12-18(34-4)17(33-3)11-15(16)23(30-25)28-14-9-19(35-5)21(37-7)20(10-14)36-6/h9-12H,8H2,1-7H3,(H2,27,28,29,30,31)
InChIKeyPIZOQTBZPOHJAB-UHFFFAOYSA-N
XLogP5.10
TPSA135.18 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500555.61
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[(4-iodo-6,7-dimethoxyquinazolin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 142196719
ethyl 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 90731762
2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 22693051
ethyl 4-methyl-2-[[4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 87421849
ethyl 4-methyl-2-[[9-[(3,4,5-trimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylamino]-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 87353583
ethyl 2-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate;molecular hydrogen
CID 157094812
ethyl 4-methyl-2-[[4-piperazin-1-yl-7-[(3,4,5-trimethoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 6918838
ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4817060
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
ethyl 2-[(4-chloro-6-formylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 23545937
ethyl 2-[[4-(3-carbamoylpiperidin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 91457680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 10144129) is ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)c3cc(OC)c(OC)cc3n2)nc1C.
What is the InChIKey of ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PIZOQTBZPOHJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O7S/c1-8-38-24(32)22-13(2)27-26(39-22)31-25-29-16-12-18(34-4)17(33-3)11-15(16)23(30-25)28-14-9-19(35-5)21(37-7)20(10-14)36-6/h9-12H,8H2,1-7H3,(H2,27,28,29,30,31).
What are the key properties of ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 555.61 g/mol, XLogP of 5.10, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 10144129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).