N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide

C27H19ClN4O4 — CID 3986666

IUPACN-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide
SMILESO=C(COc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C27H19ClN4O4/c28-18-10-12-19(13-11-18)30-25(33)16-36-24-14-9-17-5-1-2-6-20(17)22(24)15-29-32-26(34)21-7-3-4-8-23(21)31-27(32)35/h1-15H,16H2,(H,30,33)(H,31,35)
InChIKeyULRWTRMOFUJKMP-UHFFFAOYSA-N
MW498.93 g/mol
LogP4.40
Rot. Bonds6

About N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide

N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide (PubChem CID 3986666) has the molecular formula C27H19ClN4O4 and a molecular weight of 498.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide
PubChem CID3986666
Molecular FormulaC27H19ClN4O4
Molecular Weight498.93 g/mol
Exact Mass498.11
IUPAC NameN-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide
SMILESO=C(COc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C27H19ClN4O4/c28-18-10-12-19(13-11-18)30-25(33)16-36-24-14-9-17-5-1-2-6-20(17)22(24)15-29-32-26(34)21-7-3-4-8-23(21)31-27(32)35/h1-15H,16H2,(H,30,33)(H,31,35)
InChIKeyULRWTRMOFUJKMP-UHFFFAOYSA-N
XLogP4.40
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.93
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3293662
2-[2-chloro-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]-N-phenylacetamide
CID 3944031
2-[1-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]naphthalen-2-yl]oxy-N-(4-chlorophenyl)acetamide
CID 126343395
N-(4-chlorophenyl)-2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]acetamide
CID 4032250
2-[4-chloro-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]-N-(4-chlorophenyl)acetamide
CID 126349178
2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126350518
2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodophenoxy]-N-phenylacetamide
CID 126358160
2-[2-chloro-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126371064
2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4575125
2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-4-nitrophenoxy]-N-phenylacetamide
CID 4032892
2-[1-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(4-fluorophenyl)acetamide
CID 126290453
2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 3918389

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide (CID 3986666) is N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide is O=C(COc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide?
The InChIKey is ULRWTRMOFUJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN4O4/c28-18-10-12-19(13-11-18)30-25(33)16-36-24-14-9-17-5-1-2-6-20(17)22(24)15-29-32-26(34)21-7-3-4-8-23(21)31-27(32)35/h1-15H,16H2,(H,30,33)(H,31,35).
What are the key properties of N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide?
N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 498.93 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 3986666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).