N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide

C27H18Cl3N3O2 — CID 166139066

IUPACN-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide
SMILESNc1ccccc1NC(=O)c1cccc2cc(Oc3ccnc4c(C(Cl)(Cl)Cl)cccc34)ccc12
InChIInChI=1S/C27H18Cl3N3O2/c28-27(29,30)21-8-4-7-20-24(13-14-32-25(20)21)35-17-11-12-18-16(15-17)5-3-6-19(18)26(34)33-23-10-2-1-9-22(23)31/h1-15H,31H2,(H,33,34)
InChIKeyAUIHEHBLWMGLES-UHFFFAOYSA-N
MW522.82 g/mol
LogP7.84
Rot. Bonds4

About N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide

N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 166139066) has the molecular formula C27H18Cl3N3O2 and a molecular weight of 522.82 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID166139066
Molecular FormulaC27H18Cl3N3O2
Molecular Weight522.82 g/mol
Exact Mass521.05
IUPAC NameN-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide
SMILESNc1ccccc1NC(=O)c1cccc2cc(Oc3ccnc4c(C(Cl)(Cl)Cl)cccc34)ccc12
InChIInChI=1S/C27H18Cl3N3O2/c28-27(29,30)21-8-4-7-20-24(13-14-32-25(20)21)35-17-11-12-18-16(15-17)5-3-6-19(18)26(34)33-23-10-2-1-9-22(23)31/h1-15H,31H2,(H,33,34)
InChIKeyAUIHEHBLWMGLES-UHFFFAOYSA-N
XLogP7.84
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.82
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide
CID 59813234
4-[2-(2-aminoanilino)-2-oxo-1-phenylethyl]-6-[8-(trifluoromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 154485770
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
CID 59590548
N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813889
6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 59813795
N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide
CID 59813514
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813683
N-(2-amino-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 107697510
4-(3,4-dichlorophenoxy)quinolin-8-amine
CID 83060695
2-amino-N-anthracen-1-ylbenzamide
CID 175805968
N-(2-aminophenyl)-4-naphthalen-2-yloxybenzamide
CID 10760610

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide (CID 166139066) is N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide is Nc1ccccc1NC(=O)c1cccc2cc(Oc3ccnc4c(C(Cl)(Cl)Cl)cccc34)ccc12.
What is the InChIKey of N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is AUIHEHBLWMGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl3N3O2/c28-27(29,30)21-8-4-7-20-24(13-14-32-25(20)21)35-17-11-12-18-16(15-17)5-3-6-19(18)26(34)33-23-10-2-1-9-22(23)31/h1-15H,31H2,(H,33,34).
What are the key properties of N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide?
N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 522.82 g/mol, XLogP of 7.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[8-(trichloromethyl)quinolin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 166139066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).