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

C19H17ClN2O4 — CID 135424415

IUPAC2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O4/c20-13-5-7-14(8-6-13)25-11-12-26-18(23)10-9-17-21-16-4-2-1-3-15(16)19(24)22-17/h1-8H,9-12H2,(H,21,22,24)
InChIKeySMQLSENRPXIGOQ-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.13
Rot. Bonds7

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

2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135424415) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135424415
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O4/c20-13-5-7-14(8-6-13)25-11-12-26-18(23)10-9-17-21-16-4-2-1-3-15(16)19(24)22-17/h1-8H,9-12H2,(H,21,22,24)
InChIKeySMQLSENRPXIGOQ-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'}

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Related Compounds

2-phenoxymethyl-3H-quinazolin-4-one
CID 135416161
2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681131
3-Amino-2-[(3-chlorophenoxy)methyl]-4(3H)-quinazolinone
CID 589404
3-(4-Oxo-3,4-dihydroquinazolin-2-yl)phenyl acetate
CID 135796465
2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135512252
(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 135519948
N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide
CID 135600108
2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one
CID 135690392
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135858574
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-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4(3H)-one
CID 583515

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135424415) is 2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(CCc1nc2ccccc2c(=O)[nH]1)OCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is SMQLSENRPXIGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-13-5-7-14(8-6-13)25-11-12-26-18(23)10-9-17-21-16-4-2-1-3-15(16)19(24)22-17/h1-8H,9-12H2,(H,21,22,24).
What are the key properties of 2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
2-(4-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-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135424415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).