(5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C19H17ClN2O4 — CID 135568646

IUPAC(5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCOc1ccc(Cl)cc1COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H17ClN2O4/c1-25-16-7-6-13(20)10-12(16)11-26-18(23)9-8-17-21-15-5-3-2-4-14(15)19(24)22-17/h2-7,10H,8-9,11H2,1H3,(H,21,22,24)
InChIKeyZDQUUJHOWTWWDS-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.26
Rot. Bonds6

About (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate

(5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135568646) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135568646
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCOc1ccc(Cl)cc1COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H17ClN2O4/c1-25-16-7-6-13(20)10-12(16)11-26-18(23)9-8-17-21-15-5-3-2-4-14(15)19(24)22-17/h2-7,10H,8-9,11H2,1H3,(H,21,22,24)
InChIKeyZDQUUJHOWTWWDS-UHFFFAOYSA-N
XLogP3.26
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate with MolForge

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Related Compounds

Sdccgsbi-0660206.P001
CID 135611366
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
(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 135519948
2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135775945
2-(3-Chloro-4-methoxyanilino)-2-oxoethyl 3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoate
CID 135418842
6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135461727
Sgc-ubd253
CID 164946806
5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 3244358
5-Chloro-2-methoxy-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-B]quinazolin-2-YL}benzamide
CID 6623418
2-(4-methylphenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135519905
2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681137

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135568646) is (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is COc1ccc(Cl)cc1COC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is ZDQUUJHOWTWWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-25-16-7-6-13(20)10-12(16)11-26-18(23)9-8-17-21-15-5-3-2-4-14(15)19(24)22-17/h2-7,10H,8-9,11H2,1H3,(H,21,22,24).
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
(5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 372.81 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135568646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).