4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide

C20H24N4O4S — CID 46529832

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCOc1cc2ncn(CCCC(=O)NCCc3csc(C)n3)c(=O)c2cc1OC
InChIInChI=1S/C20H24N4O4S/c1-13-23-14(11-29-13)6-7-21-19(25)5-4-8-24-12-22-16-10-18(28-3)17(27-2)9-15(16)20(24)26/h9-12H,4-8H2,1-3H3,(H,21,25)
InChIKeyRDBBNIVAQRZXGJ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.32
Rot. Bonds9

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 46529832) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID46529832
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCOc1cc2ncn(CCCC(=O)NCCc3csc(C)n3)c(=O)c2cc1OC
InChIInChI=1S/C20H24N4O4S/c1-13-23-14(11-29-13)6-7-21-19(25)5-4-8-24-12-22-16-10-18(28-3)17(27-2)9-15(16)20(24)26/h9-12H,4-8H2,1-3H3,(H,21,25)
InChIKeyRDBBNIVAQRZXGJ-UHFFFAOYSA-N
XLogP2.32
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide with MolForge

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46442118
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39378134
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 55908483
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55456466
N-(1-adamantylmethyl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55455149
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2-diphenylethyl)butanamide
CID 46461895
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55522180
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 46666783

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide (CID 46529832) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide is COc1cc2ncn(CCCC(=O)NCCc3csc(C)n3)c(=O)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is RDBBNIVAQRZXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-13-23-14(11-29-13)6-7-21-19(25)5-4-8-24-12-22-16-10-18(28-3)17(27-2)9-15(16)20(24)26/h9-12H,4-8H2,1-3H3,(H,21,25).
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 416.50 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 46529832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).