N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide

C32H31N3O6S — CID 58732910

IUPACN-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide
SMILESCOc1cc2c(Oc3ccc4cc(NC(=O)c5cccs5)ccc4c3)ccnc2cc1OCC(O)CN1CCOCC1
InChIInChI=1S/C32H31N3O6S/c1-38-29-17-26-27(18-30(29)40-20-24(36)19-35-10-12-39-13-11-35)33-9-8-28(26)41-25-7-5-21-15-23(6-4-22(21)16-25)34-32(37)31-3-2-14-42-31/h2-9,14-18,24,36H,10-13,19-20H2,1H3,(H,34,37)
InChIKeyNRKQMJXOEBGGSL-UHFFFAOYSA-N
MW585.68 g/mol
LogP5.57
Rot. Bonds10

About N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide

N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide (PubChem CID 58732910) has the molecular formula C32H31N3O6S and a molecular weight of 585.68 g/mol. Its IUPAC name is N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide
PubChem CID58732910
Molecular FormulaC32H31N3O6S
Molecular Weight585.68 g/mol
Exact Mass585.19
IUPAC NameN-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide
SMILESCOc1cc2c(Oc3ccc4cc(NC(=O)c5cccs5)ccc4c3)ccnc2cc1OCC(O)CN1CCOCC1
InChIInChI=1S/C32H31N3O6S/c1-38-29-17-26-27(18-30(29)40-20-24(36)19-35-10-12-39-13-11-35)33-9-8-28(26)41-25-7-5-21-15-23(6-4-22(21)16-25)34-32(37)31-3-2-14-42-31/h2-9,14-18,24,36H,10-13,19-20H2,1H3,(H,34,37)
InChIKeyNRKQMJXOEBGGSL-UHFFFAOYSA-N
XLogP5.57
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.68
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[3-fluoro-4-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-methylphenyl)acetamide
CID 58249344
N-[[3-fluoro-4-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-methylphenyl)acetamide
CID 58249416
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
CID 59813597
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
1-(azepan-1-yl)-3-[4-[4-(4-tert-butylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxypropan-2-ol
CID 23022649
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]thiophene-2-carboxamide
CID 58738934
N-carbamothioyl-N-[3-fluoro-4-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]acetamide
CID 87305708
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 59813656
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
N-[[3-fluoro-4-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-sulfanylcarbamoyl]-2-(2-fluorophenyl)acetamide
CID 87529978

Frequently Asked Questions

What is the IUPAC name of N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide (CID 58732910) is N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide is COc1cc2c(Oc3ccc4cc(NC(=O)c5cccs5)ccc4c3)ccnc2cc1OCC(O)CN1CCOCC1.
What is the InChIKey of N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide?
The InChIKey is NRKQMJXOEBGGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O6S/c1-38-29-17-26-27(18-30(29)40-20-24(36)19-35-10-12-39-13-11-35)33-9-8-28(26)41-25-7-5-21-15-23(6-4-22(21)16-25)34-32(37)31-3-2-14-42-31/h2-9,14-18,24,36H,10-13,19-20H2,1H3,(H,34,37).
What are the key properties of N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide?
N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide has a molecular weight of 585.68 g/mol, XLogP of 5.57, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58732910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).