N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide

C19H20N4O5S — CID 55456466

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
SMILESCOc1cc2ncn(CCCC(=O)Nc3nc(C(C)=O)cs3)c(=O)c2cc1OC
InChIInChI=1S/C19H20N4O5S/c1-11(24)14-9-29-19(21-14)22-17(25)5-4-6-23-10-20-13-8-16(28-3)15(27-2)7-12(13)18(23)26/h7-10H,4-6H2,1-3H3,(H,21,22,25)
InChIKeyFOAFDFGRCVFWBF-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.49
Rot. Bonds8

About N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide (PubChem CID 55456466) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
PubChem CID55456466
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
SMILESCOc1cc2ncn(CCCC(=O)Nc3nc(C(C)=O)cs3)c(=O)c2cc1OC
InChIInChI=1S/C19H20N4O5S/c1-11(24)14-9-29-19(21-14)22-17(25)5-4-6-23-10-20-13-8-16(28-3)15(27-2)7-12(13)18(23)26/h7-10H,4-6H2,1-3H3,(H,21,22,25)
InChIKeyFOAFDFGRCVFWBF-UHFFFAOYSA-N
XLogP2.49
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55455875
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 55456627
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 46529832
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
CID 55566505
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55784153
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1H-indazol-7-yl)butanamide
CID 55547797
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide (CID 55456466) is N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide is COc1cc2ncn(CCCC(=O)Nc3nc(C(C)=O)cs3)c(=O)c2cc1OC.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is FOAFDFGRCVFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-11(24)14-9-29-19(21-14)22-17(25)5-4-6-23-10-20-13-8-16(28-3)15(27-2)7-12(13)18(23)26/h7-10H,4-6H2,1-3H3,(H,21,22,25).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 416.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 55456466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).