N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine

C27H21ClN2O3S — CID 143083683

IUPACN-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine
SMILESCOc1cc2nccc(Oc3ccc4c(NSc5ccc(Cl)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21ClN2O3S/c1-31-26-15-22-24(16-27(26)32-2)29-13-12-25(22)33-19-8-11-21-17(14-19)4-3-5-23(21)30-34-20-9-6-18(28)7-10-20/h3-16,30H,1-2H3
InChIKeyHJUQKZHXKVNINU-UHFFFAOYSA-N
MW489.00 g/mol
LogP7.97
Rot. Bonds7

About N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine

N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine (PubChem CID 143083683) has the molecular formula C27H21ClN2O3S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine
PubChem CID143083683
Molecular FormulaC27H21ClN2O3S
Molecular Weight489.00 g/mol
Exact Mass488.10
IUPAC NameN-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine
SMILESCOc1cc2nccc(Oc3ccc4c(NSc5ccc(Cl)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21ClN2O3S/c1-31-26-15-22-24(16-27(26)32-2)29-13-12-25(22)33-19-8-11-21-17(14-19)4-3-5-23(21)30-34-20-9-6-18(28)7-10-20/h3-16,30H,1-2H3
InChIKeyHJUQKZHXKVNINU-UHFFFAOYSA-N
XLogP7.97
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.00
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
CID 59813443
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
CID 59813260
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
1-(4-tert-butylphenyl)-3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]thiourea
CID 59813737
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
CID 59813855
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine?
The IUPAC name of N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine (CID 143083683) is N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine?
The canonical SMILES for N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine is COc1cc2nccc(Oc3ccc4c(NSc5ccc(Cl)cc5)cccc4c3)c2cc1OC.
What is the InChIKey of N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine?
The InChIKey is HJUQKZHXKVNINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O3S/c1-31-26-15-22-24(16-27(26)32-2)29-13-12-25(22)33-19-8-11-21-17(14-19)4-3-5-23(21)30-34-20-9-6-18(28)7-10-20/h3-16,30H,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine?
N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine has a molecular weight of 489.00 g/mol, XLogP of 7.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine is sourced from PubChem (CID 143083683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).