N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C21H23N3O4 — CID 55804193

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOCCOc1cccc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C21H23N3O4/c1-15-5-3-8-18-20(15)23-14-24(21(18)26)13-19(25)22-12-16-6-4-7-17(11-16)28-10-9-27-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyMJYKITHHXQUPNU-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.05
Rot. Bonds8

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55804193) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55804193
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOCCOc1cccc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C21H23N3O4/c1-15-5-3-8-18-20(15)23-14-24(21(18)26)13-19(25)22-12-16-6-4-7-17(11-16)28-10-9-27-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyMJYKITHHXQUPNU-UHFFFAOYSA-N
XLogP2.05
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 39228693
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 55612647
4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
CID 55878694
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 39502253
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55844680
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938467
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298592
ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate
CID 39268281

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55804193) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is COCCOc1cccc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is MJYKITHHXQUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-5-3-8-18-20(15)23-14-24(21(18)26)13-19(25)22-12-16-6-4-7-17(11-16)28-10-9-27-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55804193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).