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

C20H21N3O3 — CID 56745247

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H21N3O3/c1-14(15-8-5-7-11-18(15)26-3)22(2)19(24)12-23-13-21-17-10-6-4-9-16(17)20(23)25/h4-11,13-14H,12H2,1-3H3
InChIKeySOIAWYMLVOSHNS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.62
Rot. Bonds5

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

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 56745247) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID56745247
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H21N3O3/c1-14(15-8-5-7-11-18(15)26-3)22(2)19(24)12-23-13-21-17-10-6-4-9-16(17)20(23)25/h4-11,13-14H,12H2,1-3H3
InChIKeySOIAWYMLVOSHNS-UHFFFAOYSA-N
XLogP2.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 95159752
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 46551064
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9400351
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 96503311
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 95279087
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51951419
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 60513726

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 56745247) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccccc1C(C)N(C)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SOIAWYMLVOSHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(15-8-5-7-11-18(15)26-3)22(2)19(24)12-23-13-21-17-10-6-4-9-16(17)20(23)25/h4-11,13-14H,12H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 56745247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).