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'}

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Related Compounds

N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462485
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90575511
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976

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).