N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

C19H14F3N3O3 — CID 57391073

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1
InChIInChI=1S/C19H14F3N3O3/c1-28-12-7-5-11(6-8-12)9-24-25-18(27)14-10-23-16-13(17(14)26)3-2-4-15(16)19(20,21)22/h2-10H,1H3,(H,23,26)(H,25,27)/b24-9+
InChIKeyNFNJNYZAYKYWKS-PGGKNCGUSA-N
MW389.33 g/mol
LogP3.32
Rot. Bonds4

About N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 57391073) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID57391073
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1
InChIInChI=1S/C19H14F3N3O3/c1-28-12-7-5-11(6-8-12)9-24-25-18(27)14-10-23-16-13(17(14)26)3-2-4-15(16)19(20,21)22/h2-10H,1H3,(H,23,26)(H,25,27)/b24-9+
InChIKeyNFNJNYZAYKYWKS-PGGKNCGUSA-N
XLogP3.32
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.32
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'}

Analyze N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 57391073) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is COc1ccc(/C=N/NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is NFNJNYZAYKYWKS-PGGKNCGUSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-28-12-7-5-11(6-8-12)9-24-25-18(27)14-10-23-16-13(17(14)26)3-2-4-15(16)19(20,21)22/h2-10H,1H3,(H,23,26)(H,25,27)/b24-9+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 389.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 57391073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).