(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate

C20H13ClN2O4 — CID 135737744

IUPAC(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc2ccccc2c1O
InChIInChI=1S/C20H13ClN2O4/c21-12-6-8-14-16(9-12)22-17(23-19(14)25)10-27-20(26)15-7-5-11-3-1-2-4-13(11)18(15)24/h1-9,24H,10H2,(H,22,23,25)
InChIKeyCHXHSLRIBYEECF-UHFFFAOYSA-N
MW380.79 g/mol
LogP3.79
Rot. Bonds3

About (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate (PubChem CID 135737744) has the molecular formula C20H13ClN2O4 and a molecular weight of 380.79 g/mol. Its IUPAC name is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate
PubChem CID135737744
Molecular FormulaC20H13ClN2O4
Molecular Weight380.79 g/mol
Exact Mass380.06
IUPAC Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc2ccccc2c1O
InChIInChI=1S/C20H13ClN2O4/c21-12-6-8-14-16(9-12)22-17(23-19(14)25)10-27-20(26)15-7-5-11-3-1-2-4-13(11)18(15)24/h1-9,24H,10H2,(H,22,23,25)
InChIKeyCHXHSLRIBYEECF-UHFFFAOYSA-N
XLogP3.79
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 135850152
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 135729921
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4,5-dibromothiophene-2-carboxylate
CID 135738012
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 135729992
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 135738036
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate
CID 135730058
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 135729945
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 135737713
(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 135723676
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 135729976
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 135729934

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate (CID 135737744) is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate is O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc2ccccc2c1O.
What is the InChIKey of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate?
The InChIKey is CHXHSLRIBYEECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O4/c21-12-6-8-14-16(9-12)22-17(23-19(14)25)10-27-20(26)15-7-5-11-3-1-2-4-13(11)18(15)24/h1-9,24H,10H2,(H,22,23,25).
What are the key properties of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate?
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate has a molecular weight of 380.79 g/mol, XLogP of 3.79, 3 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 1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 135737744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).