2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate

C19H17ClN2O4 — CID 46661027

IUPAC2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate
SMILESO=C(CCn1cnc2ccccc2c1=O)OCCOc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O4/c20-15-6-2-4-8-17(15)25-11-12-26-18(23)9-10-22-13-21-16-7-3-1-5-14(16)19(22)24/h1-8,13H,9-12H2
InChIKeyMUAYCZLMYUOGJE-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.06
Rot. Bonds7

About 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate

2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate (PubChem CID 46661027) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate
PubChem CID46661027
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate
SMILESO=C(CCn1cnc2ccccc2c1=O)OCCOc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O4/c20-15-6-2-4-8-17(15)25-11-12-26-18(23)9-10-22-13-21-16-7-3-1-5-14(16)19(22)24/h1-8,13H,9-12H2
InChIKeyMUAYCZLMYUOGJE-UHFFFAOYSA-N
XLogP3.06
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33356940
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573190
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
(4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate
CID 16573162
3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
CID 30338391
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
3-(4-aminobutyl)quinazolin-4-one
CID 28823941

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate (CID 46661027) is 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate is O=C(CCn1cnc2ccccc2c1=O)OCCOc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate?
The InChIKey is MUAYCZLMYUOGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-15-6-2-4-8-17(15)25-11-12-26-18(23)9-10-22-13-21-16-7-3-1-5-14(16)19(22)24/h1-8,13H,9-12H2.
What are the key properties of 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate?
2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate has a molecular weight of 372.81 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 46661027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).