N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide

C19H16BrN3O2 — CID 1237546

IUPACN-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide
SMILESCCOc1ccc(Br)cc1C=NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H16BrN3O2/c1-2-25-18-10-8-15(20)11-14(18)12-21-23-19(24)17-9-7-13-5-3-4-6-16(13)22-17/h3-12H,2H2,1H3,(H,23,24)
InChIKeyFZVOQQROHGNISF-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.16
Rot. Bonds5

About N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide

N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide (PubChem CID 1237546) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide
PubChem CID1237546
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide
SMILESCCOc1ccc(Br)cc1C=NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H16BrN3O2/c1-2-25-18-10-8-15(20)11-14(18)12-21-23-19(24)17-9-7-13-5-3-4-6-16(13)22-17/h3-12H,2H2,1H3,(H,23,24)
InChIKeyFZVOQQROHGNISF-UHFFFAOYSA-N
XLogP4.16
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
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-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide
CID 3438844
N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 9499718
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 6876568
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
5,7-dibromo-N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376210
[2-(4-bromobenzoyl)oxy-4-[(E)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 56698301
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 4101486
N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126318733
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8931482
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8931487

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide (CID 1237546) is N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide is CCOc1ccc(Br)cc1C=NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide?
The InChIKey is FZVOQQROHGNISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-2-25-18-10-8-15(20)11-14(18)12-21-23-19(24)17-9-7-13-5-3-4-6-16(13)22-17/h3-12H,2H2,1H3,(H,23,24).
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide?
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 1237546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).