N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide

C21H19N3O3 — CID 46551064

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H19N3O3/c1-14(19-11-15-7-3-6-10-18(15)27-19)23(2)20(25)12-24-13-22-17-9-5-4-8-16(17)21(24)26/h3-11,13-14H,12H2,1-2H3
InChIKeyKZFVMQAVSXICAZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 46551064) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID46551064
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H19N3O3/c1-14(19-11-15-7-3-6-10-18(15)27-19)23(2)20(25)12-24-13-22-17-9-5-4-8-16(17)21(24)26/h3-11,13-14H,12H2,1-2H3
InChIKeyKZFVMQAVSXICAZ-UHFFFAOYSA-N
XLogP3.36
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 56745247
N-[(2R)-1-methoxypropan-2-yl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 95159752
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 46551114
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 134019422
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137291968
N-methyl-2-(4-oxoquinazolin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91770731
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 39976237
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46550846
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46421740
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51951419

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 46551064) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is CC(c1cc2ccccc2o1)N(C)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KZFVMQAVSXICAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14(19-11-15-7-3-6-10-18(15)27-19)23(2)20(25)12-24-13-22-17-9-5-4-8-16(17)21(24)26/h3-11,13-14H,12H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 361.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46551064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).