N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

C32H30N2O4 — CID 11329617

IUPACN-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(C(C)(C)C)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C32H30N2O4/c1-32(2,3)21-9-11-22(12-10-21)34-31(35)25-8-6-7-20-17-23(13-14-24(20)25)38-28-15-16-33-27-19-30(37-5)29(36-4)18-26(27)28/h6-19H,1-5H3,(H,34,35)
InChIKeyGNDQXLLPZBCHBZ-UHFFFAOYSA-N
MW506.60 g/mol
LogP7.75
Rot. Bonds6

About N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 11329617) has the molecular formula C32H30N2O4 and a molecular weight of 506.60 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID11329617
Molecular FormulaC32H30N2O4
Molecular Weight506.60 g/mol
Exact Mass506.22
IUPAC NameN-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(C(C)(C)C)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C32H30N2O4/c1-32(2,3)21-9-11-22(12-10-21)34-31(35)25-8-6-7-20-17-23(13-14-24(20)25)38-28-15-16-33-27-19-30(37-5)29(36-4)18-26(27)28/h6-19H,1-5H3,(H,34,35)
InChIKeyGNDQXLLPZBCHBZ-UHFFFAOYSA-N
XLogP7.75
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (CID 11329617) is N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(C(C)(C)C)cc5)cccc4c3)c2cc1OC.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is GNDQXLLPZBCHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O4/c1-32(2,3)21-9-11-22(12-10-21)34-31(35)25-8-6-7-20-17-23(13-14-24(20)25)38-28-15-16-33-27-19-30(37-5)29(36-4)18-26(27)28/h6-19H,1-5H3,(H,34,35).
What are the key properties of N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 506.60 g/mol, XLogP of 7.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 11329617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).