N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide

C18H17N3O4 — CID 110702552

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4/c1-24-12-6-8-13(9-7-12)25-11-10-19-17(22)16-14-4-2-3-5-15(14)20-18(23)21-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyNWSQOQJSSHSASQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.74
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 110702552) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID110702552
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4/c1-24-12-6-8-13(9-7-12)25-11-10-19-17(22)16-14-4-2-3-5-15(14)20-18(23)21-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyNWSQOQJSSHSASQ-UHFFFAOYSA-N
XLogP1.74
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702529
4-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 134117292
3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
CID 26710366
2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide
CID 110702484
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-cyclopentyl-2-oxo-1H-quinazoline-4-carboxamide
CID 110702489
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide (CID 110702552) is N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide is COc1ccc(OCCNC(=O)c2nc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is NWSQOQJSSHSASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-12-6-8-13(9-7-12)25-11-10-19-17(22)16-14-4-2-3-5-15(14)20-18(23)21-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 110702552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).