2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

C22H16BrN3O3 — CID 4534549

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NN=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H16BrN3O3/c23-21-17-7-3-1-5-14(17)9-10-19(21)29-13-20(27)26-24-12-16-11-15-6-2-4-8-18(15)25-22(16)28/h1-12H,13H2,(H,25,28)(H,26,27)
InChIKeyJFPKZLQTCRFUEX-UHFFFAOYSA-N
MW450.29 g/mol
LogP3.97
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (PubChem CID 4534549) has the molecular formula C22H16BrN3O3 and a molecular weight of 450.29 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
PubChem CID4534549
Molecular FormulaC22H16BrN3O3
Molecular Weight450.29 g/mol
Exact Mass449.04
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NN=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H16BrN3O3/c23-21-17-7-3-1-5-14(17)9-10-19(21)29-13-20(27)26-24-12-16-11-15-6-2-4-8-18(15)25-22(16)28/h1-12H,13H2,(H,25,28)(H,26,27)
InChIKeyJFPKZLQTCRFUEX-UHFFFAOYSA-N
XLogP3.97
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 136782137
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 6876568
2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 932384
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4649867
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3350510
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560539
[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 51060313
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3350513
2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4633368
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 45055304
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3350497

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (CID 4534549) is 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is O=C(COc1ccc2ccccc2c1Br)NN=Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The InChIKey is JFPKZLQTCRFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O3/c23-21-17-7-3-1-5-14(17)9-10-19(21)29-13-20(27)26-24-12-16-11-15-6-2-4-8-18(15)25-22(16)28/h1-12H,13H2,(H,25,28)(H,26,27).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide has a molecular weight of 450.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 4534549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).