2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C19H21ClN4O4S — CID 22693051

IUPAC2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOc1cc2nc(Cl)nc(Nc3nc(C)c(C(=O)OCC(C)C)s3)c2cc1OC
InChIInChI=1S/C19H21ClN4O4S/c1-9(2)8-28-17(25)15-10(3)21-19(29-15)24-16-11-6-13(26-4)14(27-5)7-12(11)22-18(20)23-16/h6-7,9H,8H2,1-5H3,(H,21,22,23,24)
InChIKeyGXEWVNGBIRNVLC-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.62
Rot. Bonds7

About 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 22693051) has the molecular formula C19H21ClN4O4S and a molecular weight of 436.92 g/mol. Its IUPAC name is 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID22693051
Molecular FormulaC19H21ClN4O4S
Molecular Weight436.92 g/mol
Exact Mass436.10
IUPAC Name2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOc1cc2nc(Cl)nc(Nc3nc(C)c(C(=O)OCC(C)C)s3)c2cc1OC
InChIInChI=1S/C19H21ClN4O4S/c1-9(2)8-28-17(25)15-10(3)21-19(29-15)24-16-11-6-13(26-4)14(27-5)7-12(11)22-18(20)23-16/h6-7,9H,8H2,1-5H3,(H,21,22,23,24)
InChIKeyGXEWVNGBIRNVLC-UHFFFAOYSA-N
XLogP4.62
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 10144129
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-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4501714
2-methylpropyl 4-methyl-2-[(3,5,6-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 4500170
2-methylpropyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110444825
2-methylpropyl 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 110443163
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylbenzoic acid
CID 22692970
ethyl 2-[(3-chloro-4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1047479
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol
CID 22692956
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 22693051) is 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is COc1cc2nc(Cl)nc(Nc3nc(C)c(C(=O)OCC(C)C)s3)c2cc1OC.
What is the InChIKey of 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is GXEWVNGBIRNVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4S/c1-9(2)8-28-17(25)15-10(3)21-19(29-15)24-16-11-6-13(26-4)14(27-5)7-12(11)22-18(20)23-16/h6-7,9H,8H2,1-5H3,(H,21,22,23,24).
What are the key properties of 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 436.92 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 22693051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).