3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide

C29H28FN3O3 — CID 137443326

IUPAC3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(F)cc(-c2cnc3ccc(-c4cccc(O)c4)cc3c2C(=O)N(C)CC2COCCN2)c1
InChIInChI=1S/C29H28FN3O3/c1-18-10-21(12-22(30)11-18)26-15-32-27-7-6-20(19-4-3-5-24(34)13-19)14-25(27)28(26)29(35)33(2)16-23-17-36-9-8-31-23/h3-7,10-15,23,31,34H,8-9,16-17H2,1-2H3
InChIKeyJSWVWSOINKETJI-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.78
Rot. Bonds5

About 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide

3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 137443326) has the molecular formula C29H28FN3O3 and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID137443326
Molecular FormulaC29H28FN3O3
Molecular Weight485.56 g/mol
Exact Mass485.21
IUPAC Name3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(F)cc(-c2cnc3ccc(-c4cccc(O)c4)cc3c2C(=O)N(C)CC2COCCN2)c1
InChIInChI=1S/C29H28FN3O3/c1-18-10-21(12-22(30)11-18)26-15-32-27-7-6-20(19-4-3-5-24(34)13-19)14-25(27)28(26)29(35)33(2)16-23-17-36-9-8-31-23/h3-7,10-15,23,31,34H,8-9,16-17H2,1-2H3
InChIKeyJSWVWSOINKETJI-UHFFFAOYSA-N
XLogP4.78
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide (CID 137443326) is 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide is Cc1cc(F)cc(-c2cnc3ccc(-c4cccc(O)c4)cc3c2C(=O)N(C)CC2COCCN2)c1.
What is the InChIKey of 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is JSWVWSOINKETJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O3/c1-18-10-21(12-22(30)11-18)26-15-32-27-7-6-20(19-4-3-5-24(34)13-19)14-25(27)28(26)29(35)33(2)16-23-17-36-9-8-31-23/h3-7,10-15,23,31,34H,8-9,16-17H2,1-2H3.
What are the key properties of 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide?
3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 137443326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).