2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C19H17ClN2O4 — CID 135534221

IUPAC2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCCOc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O4/c20-14-6-2-4-8-16(14)25-11-12-26-18(23)10-9-17-21-15-7-3-1-5-13(15)19(24)22-17/h1-8H,9-12H2,(H,21,22,24)
InChIKeyLONNVYFHTSCHGL-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.13
Rot. Bonds7

About 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate

2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135534221) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135534221
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCCOc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O4/c20-14-6-2-4-8-16(14)25-11-12-26-18(23)10-9-17-21-15-7-3-1-5-13(15)19(24)22-17/h1-8H,9-12H2,(H,21,22,24)
InChIKeyLONNVYFHTSCHGL-UHFFFAOYSA-N
XLogP3.13
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate 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

2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681131
6-[4-chloro-3-(2-methoxy-ethoxy)-phenyl]-7-isopropyl-2-methyl-3H-quinazolin-4-one
CID 136094807
(2-chlorophenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 24981947
2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135424415
2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135512252
N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide
CID 135600108
N-butyl-2-(2-chloro-4-fluorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135600169
2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one
CID 135690392
2-[4-(2,4-dichlorophenoxy)phenyl]-3H-quinazolin-4-one
CID 137658637
2-(3-Chloro-4-methoxyanilino)-2-oxoethyl 3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoate
CID 135418842
N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanamide
CID 135671605
2-[2-chloro-5-(2-methyl-4-oxo-7-propan-2-yl-3H-quinazolin-6-yl)phenoxy]acetic acid
CID 136094804

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135534221) is 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(CCc1nc2ccccc2c(=O)[nH]1)OCCOc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is LONNVYFHTSCHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-14-6-2-4-8-16(14)25-11-12-26-18(23)10-9-17-21-15-7-3-1-5-13(15)19(24)22-17/h1-8H,9-12H2,(H,21,22,24).
What are the key properties of 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 372.81 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135534221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).