N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide

C17H23N3O4 — CID 134041947

IUPACN-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOCCOCCCNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H23N3O4/c1-23-11-12-24-10-4-8-18-16(21)7-9-20-13-19-15-6-3-2-5-14(15)17(20)22/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,21)
InChIKeyPPZJBONRVSZOPA-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.96
Rot. Bonds10

About N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 134041947) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID134041947
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOCCOCCCNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H23N3O4/c1-23-11-12-24-10-4-8-18-16(21)7-9-20-13-19-15-6-3-2-5-14(15)17(20)22/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,21)
InChIKeyPPZJBONRVSZOPA-UHFFFAOYSA-N
XLogP0.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4(1H)-Quinazolinone
CID 135408753
Proquinazid
CID 11057771
2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
ME0328
CID 135566764
3-Methyl-4(3H)-quinazolinone
CID 17088
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
2-(propylamino)-4(3H)-quinazolinone
CID 135439661
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746
3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
3-Ethyl-4-quinazolinone
CID 63385
Methyl (4-oxoquinazolin-3(4H)-yl)acetate
CID 729512

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 134041947) is N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide is COCCOCCCNC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is PPZJBONRVSZOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-23-11-12-24-10-4-8-18-16(21)7-9-20-13-19-15-6-3-2-5-14(15)17(20)22/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,21).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 0.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 134041947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).