N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C29H29N3O5 — CID 2366328

IUPACN-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C29H29N3O5/c1-34-26-16-19(17-27(35-2)28(26)36-3)24-18-21(20-8-4-5-9-22(20)30-24)29(33)31-23-10-6-7-11-25(23)32-12-14-37-15-13-32/h4-11,16-18H,12-15H2,1-3H3,(H,31,33)
InChIKeyDLZBWWCRAZDVGG-UHFFFAOYSA-N
MW499.57 g/mol
LogP5.02
Rot. Bonds7

About N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 2366328) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID2366328
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C29H29N3O5/c1-34-26-16-19(17-27(35-2)28(26)36-3)24-18-21(20-8-4-5-9-22(20)30-24)29(33)31-23-10-6-7-11-25(23)32-12-14-37-15-13-32/h4-11,16-18H,12-15H2,1-3H3,(H,31,33)
InChIKeyDLZBWWCRAZDVGG-UHFFFAOYSA-N
XLogP5.02
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 2366328) is N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is DLZBWWCRAZDVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-34-26-16-19(17-27(35-2)28(26)36-3)24-18-21(20-8-4-5-9-22(20)30-24)29(33)31-23-10-6-7-11-25(23)32-12-14-37-15-13-32/h4-11,16-18H,12-15H2,1-3H3,(H,31,33).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2366328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).