(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate

C18H14ClFN2O4 — CID 135815767

IUPAC(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1F
InChIInChI=1S/C18H14ClFN2O4/c1-25-15-5-2-10(6-13(15)20)7-17(23)26-9-16-21-14-4-3-11(19)8-12(14)18(24)22-16/h2-6,8H,7,9H2,1H3,(H,21,22,24)
InChIKeyIQNVLHSXSSXKRS-UHFFFAOYSA-N
MW376.77 g/mol
LogP3.01
Rot. Bonds5

About (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate

(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 135815767) has the molecular formula C18H14ClFN2O4 and a molecular weight of 376.77 g/mol. Its IUPAC name is (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID135815767
Molecular FormulaC18H14ClFN2O4
Molecular Weight376.77 g/mol
Exact Mass376.06
IUPAC Name(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1F
InChIInChI=1S/C18H14ClFN2O4/c1-25-15-5-2-10(6-13(15)20)7-17(23)26-9-16-21-14-4-3-11(19)8-12(14)18(24)22-16/h2-6,8H,7,9H2,1H3,(H,21,22,24)
InChIKeyIQNVLHSXSSXKRS-UHFFFAOYSA-N
XLogP3.01
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135424415
(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 135519948
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135858574
2-[(4-Chlorophenoxy)methyl]-3-methyl-4(3H)-quinazolinone
CID 583515
6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135461727
N-(3-(4-chlorophenyl)-2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)-2-(2-fluorophenoxy)acetamide
CID 30369343
6-Chloro-2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one
CID 76319817
3-Amino-6-chloro-2-[(4-chlorophenoxy)methyl]quinazolin-4-one
CID 76334276
(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 135785210
2-[4-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137633987
6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 135604698
7-chloro-2-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135676977

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate (CID 135815767) is (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1F.
What is the InChIKey of (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is IQNVLHSXSSXKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O4/c1-25-15-5-2-10(6-13(15)20)7-17(23)26-9-16-21-14-4-3-11(19)8-12(14)18(24)22-16/h2-6,8H,7,9H2,1H3,(H,21,22,24).
What are the key properties of (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate?
(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 376.77 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 135815767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).