N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one

C32H32Cl2N4O5S2 — CID 161386891

IUPACN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1Cl.COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1Cl
InChIInChI=1S/C16H17ClN2O3S.C16H15ClN2O2S/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17;1-8(2)11-7-22-16(19-11)10-6-12(20)9-4-5-13(21-3)14(17)15(9)18-10/h5-8H,1-4H3,(H,19,21);4-8H,1-3H3,(H,18,20)
InChIKeyVSLWNFBPSKJBBQ-UHFFFAOYSA-N
MW687.67 g/mol
LogP8.82
Rot. Bonds8

About N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one

N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one (PubChem CID 161386891) has the molecular formula C32H32Cl2N4O5S2 and a molecular weight of 687.67 g/mol. Its IUPAC name is N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one.

Molecular Properties

Compound NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
PubChem CID161386891
Molecular FormulaC32H32Cl2N4O5S2
Molecular Weight687.67 g/mol
Exact Mass686.12
IUPAC NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1Cl.COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1Cl
InChIInChI=1S/C16H17ClN2O3S.C16H15ClN2O2S/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17;1-8(2)11-7-22-16(19-11)10-6-12(20)9-4-5-13(21-3)14(17)15(9)18-10/h5-8H,1-4H3,(H,19,21);4-8H,1-3H3,(H,18,20)
InChIKeyVSLWNFBPSKJBBQ-UHFFFAOYSA-N
XLogP8.82
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.67
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The IUPAC name of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one (CID 161386891) is N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one.
What is the SMILES notation for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The canonical SMILES for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one is COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1Cl.COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1Cl.
What is the InChIKey of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The InChIKey is VSLWNFBPSKJBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S.C16H15ClN2O2S/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17;1-8(2)11-7-22-16(19-11)10-6-12(20)9-4-5-13(21-3)14(17)15(9)18-10/h5-8H,1-4H3,(H,19,21);4-8H,1-3H3,(H,18,20).
What are the key properties of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one has a molecular weight of 687.67 g/mol, XLogP of 8.82, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one is sourced from PubChem (CID 161386891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).