2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one

C32H33ClN6O3S2 — CID 160741224

IUPAC2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one
SMILESCOc1ccc2c(=O)[nH]c(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(Cl)nc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C16H16ClN3OS.C16H17N3O2S/c1-8(2)11-7-22-16(18-11)15-19-13-9(3)12(21-4)6-5-10(13)14(17)20-15;1-8(2)11-7-22-16(17-11)14-18-13-9(3)12(21-4)6-5-10(13)15(20)19-14/h5-8H,1-4H3;5-8H,1-4H3,(H,18,19,20)
InChIKeyRVPMMLZQXJBDIZ-UHFFFAOYSA-N
MW649.24 g/mol
LogP8.33
Rot. Bonds6

About 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one

2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one (PubChem CID 160741224) has the molecular formula C32H33ClN6O3S2 and a molecular weight of 649.24 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one
PubChem CID160741224
Molecular FormulaC32H33ClN6O3S2
Molecular Weight649.24 g/mol
Exact Mass648.17
IUPAC Name2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one
SMILESCOc1ccc2c(=O)[nH]c(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(Cl)nc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C16H16ClN3OS.C16H17N3O2S/c1-8(2)11-7-22-16(18-11)15-19-13-9(3)12(21-4)6-5-10(13)14(17)20-15;1-8(2)11-7-22-16(17-11)14-18-13-9(3)12(21-4)6-5-10(13)15(20)19-14/h5-8H,1-4H3;5-8H,1-4H3,(H,18,19,20)
InChIKeyRVPMMLZQXJBDIZ-UHFFFAOYSA-N
XLogP8.33
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.24
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one (CID 160741224) is 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one is COc1ccc2c(=O)[nH]c(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(Cl)nc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one?
The InChIKey is RVPMMLZQXJBDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS.C16H17N3O2S/c1-8(2)11-7-22-16(18-11)15-19-13-9(3)12(21-4)6-5-10(13)14(17)20-15;1-8(2)11-7-22-16(17-11)14-18-13-9(3)12(21-4)6-5-10(13)15(20)19-14/h5-8H,1-4H3;5-8H,1-4H3,(H,18,19,20).
What are the key properties of 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one?
2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one has a molecular weight of 649.24 g/mol, XLogP of 8.33, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 160741224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).