N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C21H19N3O3 — CID 135760803

IUPACN-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCc1ccc2c(CC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)coc2c1
InChIInChI=1S/C21H19N3O3/c1-13-7-8-15-14(12-27-18(15)9-13)10-20(25)24(2)11-19-22-17-6-4-3-5-16(17)21(26)23-19/h3-9,12H,10-11H2,1-2H3,(H,22,23,26)
InChIKeyRNPYCBRKOWVDNZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.18
Rot. Bonds4

About N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135760803) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135760803
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCc1ccc2c(CC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)coc2c1
InChIInChI=1S/C21H19N3O3/c1-13-7-8-15-14(12-27-18(15)9-13)10-20(25)24(2)11-19-22-17-6-4-3-5-16(17)21(26)23-19/h3-9,12H,10-11H2,1-2H3,(H,22,23,26)
InChIKeyRNPYCBRKOWVDNZ-UHFFFAOYSA-N
XLogP3.18
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135760803) is N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is Cc1ccc2c(CC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)coc2c1.
What is the InChIKey of N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is RNPYCBRKOWVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-7-8-15-14(12-27-18(15)9-13)10-20(25)24(2)11-19-22-17-6-4-3-5-16(17)21(26)23-19/h3-9,12H,10-11H2,1-2H3,(H,22,23,26).
What are the key properties of N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135760803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).