5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine

C40H42N2O3 — CID 143380686

IUPAC5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine
SMILESCCOC(CCCCN(C)C)(c1ccc2ccccc2c1)C(c1ccccc1)c1cc2cc(-c3ccco3)ccc2nc1OC
InChIInChI=1S/C40H42N2O3/c1-5-45-40(23-11-12-24-42(2)3,34-21-19-29-14-9-10-17-31(29)27-34)38(30-15-7-6-8-16-30)35-28-33-26-32(37-18-13-25-44-37)20-22-36(33)41-39(35)43-4/h6-10,13-22,25-28,38H,5,11-12,23-24H2,1-4H3
InChIKeyIDBWMBOZDHTGEQ-UHFFFAOYSA-N
MW598.79 g/mol
LogP9.45
Rot. Bonds13

About 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine

5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine (PubChem CID 143380686) has the molecular formula C40H42N2O3 and a molecular weight of 598.79 g/mol. Its IUPAC name is 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine.

Molecular Properties

Compound Name5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine
PubChem CID143380686
Molecular FormulaC40H42N2O3
Molecular Weight598.79 g/mol
Exact Mass598.32
IUPAC Name5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine
SMILESCCOC(CCCCN(C)C)(c1ccc2ccccc2c1)C(c1ccccc1)c1cc2cc(-c3ccco3)ccc2nc1OC
InChIInChI=1S/C40H42N2O3/c1-5-45-40(23-11-12-24-42(2)3,34-21-19-29-14-9-10-17-31(29)27-34)38(30-15-7-6-8-16-30)35-28-33-26-32(37-18-13-25-44-37)20-22-36(33)41-39(35)43-4/h6-10,13-22,25-28,38H,5,11-12,23-24H2,1-4H3
InChIKeyIDBWMBOZDHTGEQ-UHFFFAOYSA-N
XLogP9.45
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(1R,2S)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-4-(methylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 58853324
1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol
CID 15947494
2-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methoxyquinolin-3-yl)-6-(dimethylamino)-1-phenylhexan-2-ol
CID 59200523
1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-2-yl-1-phenyl-4-(trimethylazaniumyl)butan-2-olate;hydroiodide
CID 15941140
(6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane
CID 58853314
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(4-iodophenyl)-1-phenylbutan-2-ol
CID 151186743
CID 88964570
CID 88964570
(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 124581629
(2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 138110294
7-[benzyl(methyl)amino]-3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-phenylheptan-3-ol
CID 59200518
(3-bromophenyl)-[3-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-2-methoxyquinolin-6-yl]methanone
CID 59199486
1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-diethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 130406759

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine?
The IUPAC name of 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine (CID 143380686) is 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine.
What is the SMILES notation for 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine?
The canonical SMILES for 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine is CCOC(CCCCN(C)C)(c1ccc2ccccc2c1)C(c1ccccc1)c1cc2cc(-c3ccco3)ccc2nc1OC.
What is the InChIKey of 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine?
The InChIKey is IDBWMBOZDHTGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N2O3/c1-5-45-40(23-11-12-24-42(2)3,34-21-19-29-14-9-10-17-31(29)27-34)38(30-15-7-6-8-16-30)35-28-33-26-32(37-18-13-25-44-37)20-22-36(33)41-39(35)43-4/h6-10,13-22,25-28,38H,5,11-12,23-24H2,1-4H3.
What are the key properties of 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine?
5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine has a molecular weight of 598.79 g/mol, XLogP of 9.45, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine is sourced from PubChem (CID 143380686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).