N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide

C23H17ClFN3O3 — CID 30369343

IUPACN-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1nc2ccc(NC(=O)COc3ccccc3F)cc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClFN3O3/c1-14-26-20-11-8-16(27-22(29)13-31-21-5-3-2-4-19(21)25)12-18(20)23(30)28(14)17-9-6-15(24)7-10-17/h2-12H,13H2,1H3,(H,27,29)
InChIKeyUGCMPEMLOOLREY-UHFFFAOYSA-N
MW437.86 g/mol
LogP4.50
Rot. Bonds5

About N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide

N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 30369343) has the molecular formula C23H17ClFN3O3 and a molecular weight of 437.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID30369343
Molecular FormulaC23H17ClFN3O3
Molecular Weight437.86 g/mol
Exact Mass437.09
IUPAC NameN-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1nc2ccc(NC(=O)COc3ccccc3F)cc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClFN3O3/c1-14-26-20-11-8-16(27-22(29)13-31-21-5-3-2-4-19(21)25)12-18(20)23(30)28(14)17-9-6-15(24)7-10-17/h2-12H,13H2,1H3,(H,27,29)
InChIKeyUGCMPEMLOOLREY-UHFFFAOYSA-N
XLogP4.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-(4-chlorophenoxy)-N-(2-phenylethyl)acetamide
CID 5037142
N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroquinazolin-6-yl)-2-phenoxyacetamide
CID 25155343
Furan-2-carboxylic acid [3-(4-chloro-benzyl)-4-oxo-2-propyl-3,4-dihydro-quinazolin-6-yl]-amide
CID 1456610
2-(4-chlorophenoxy)-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylacetamide
CID 45488504
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide
CID 45488724
2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135512252
N-butyl-2-(2-chloro-4-fluorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135600169
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135858574
N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155564817
2-(3-Chloro-4-methoxyanilino)-2-oxoethyl 3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoate
CID 135418842
N-(3-(4-chlorobenzyl)-4-oxo-3,4-dihydroquinazolin-6-yl)-2-phenoxyacetamide
CID 25156158
2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
CID 135706276

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide (CID 30369343) is N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide is Cc1nc2ccc(NC(=O)COc3ccccc3F)cc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is UGCMPEMLOOLREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3/c1-14-26-20-11-8-16(27-22(29)13-31-21-5-3-2-4-19(21)25)12-18(20)23(30)28(14)17-9-6-15(24)7-10-17/h2-12H,13H2,1H3,(H,27,29).
What are the key properties of N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide?
N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 437.86 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-2-methyl-4-oxoquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 30369343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).