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

C22H25N3O4 — CID 55662614

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCOCCOc1ccc(CNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C22H25N3O4/c1-16-4-3-5-19-21(16)24-15-25(22(19)27)11-10-20(26)23-14-17-6-8-18(9-7-17)29-13-12-28-2/h3-9,15H,10-14H2,1-2H3,(H,23,26)
InChIKeyVWEDQHJCVYTRPS-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.44
Rot. Bonds9

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

N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 55662614) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID55662614
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCOCCOc1ccc(CNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C22H25N3O4/c1-16-4-3-5-19-21(16)24-15-25(22(19)27)11-10-20(26)23-14-17-6-8-18(9-7-17)29-13-12-28-2/h3-9,15H,10-14H2,1-2H3,(H,23,26)
InChIKeyVWEDQHJCVYTRPS-UHFFFAOYSA-N
XLogP2.44
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.44
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-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55804193
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55619017
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34454596
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46433793
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 55662614) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is COCCOc1ccc(CNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is VWEDQHJCVYTRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-16-4-3-5-19-21(16)24-15-25(22(19)27)11-10-20(26)23-14-17-6-8-18(9-7-17)29-13-12-28-2/h3-9,15H,10-14H2,1-2H3,(H,23,26).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 395.46 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 55662614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).