(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate

C18H13Cl2N3O4 — CID 135729976

IUPAC(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C18H13Cl2N3O4/c19-11-3-1-10(2-4-11)17(25)21-8-16(24)27-9-15-22-14-7-12(20)5-6-13(14)18(26)23-15/h1-7H,8-9H2,(H,21,25)(H,22,23,26)
InChIKeyXFYICAPLNJYXOJ-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.70
Rot. Bonds5

About (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 135729976) has the molecular formula C18H13Cl2N3O4 and a molecular weight of 406.23 g/mol. Its IUPAC name is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID135729976
Molecular FormulaC18H13Cl2N3O4
Molecular Weight406.23 g/mol
Exact Mass405.03
IUPAC Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C18H13Cl2N3O4/c19-11-3-1-10(2-4-11)17(25)21-8-16(24)27-9-15-22-14-7-12(20)5-6-13(14)18(26)23-15/h1-7H,8-9H2,(H,21,25)(H,22,23,26)
InChIKeyXFYICAPLNJYXOJ-UHFFFAOYSA-N
XLogP2.70
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 135729992
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 135850152
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 135729889
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 135850080
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 135737744
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4,5-dibromothiophene-2-carboxylate
CID 135738012
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 135690636
methyl 2-[3-(4-tert-butylphenyl)propanoyloxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135814860
2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7038818
(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 135734857
1H-benzimidazol-2-ylmethyl 4-[(4-chlorobenzoyl)amino]butanoate
CID 4884043

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate (CID 135729976) is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1)OCc1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is XFYICAPLNJYXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O4/c19-11-3-1-10(2-4-11)17(25)21-8-16(24)27-9-15-22-14-7-12(20)5-6-13(14)18(26)23-15/h1-7H,8-9H2,(H,21,25)(H,22,23,26).
What are the key properties of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 406.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 135729976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).