N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C22H25N3O4 — CID 24559975

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCOc1ccc(OCCNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C22H25N3O4/c1-3-28-17-7-9-18(10-8-17)29-14-12-23-20(26)11-13-25-15-24-21-16(2)5-4-6-19(21)22(25)27/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyPJWVBUSVPLXEBP-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.69
Rot. Bonds9

About N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 24559975) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID24559975
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCOc1ccc(OCCNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C22H25N3O4/c1-3-28-17-7-9-18(10-8-17)29-14-12-23-20(26)11-13-25-15-24-21-16(2)5-4-6-19(21)22(25)27/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyPJWVBUSVPLXEBP-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39394609
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446827
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55619017
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 31949527
ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate
CID 55671104
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
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-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 24559975) is N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is CCOc1ccc(OCCNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is PJWVBUSVPLXEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-28-17-7-9-18(10-8-17)29-14-12-23-20(26)11-13-25-15-24-21-16(2)5-4-6-19(21)22(25)27/h4-10,15H,3,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 395.46 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 24559975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).