2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide

C29H27N3O3 — CID 55545860

IUPAC2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C29H27N3O3/c1-19-11-12-21(20(2)17-19)27-18-24(22-7-3-5-9-25(22)30-27)28(33)31-26-10-6-4-8-23(26)29(34)32-13-15-35-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,31,33)
InChIKeyDVUZQDLLOJJDFJ-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.24
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide

2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide (PubChem CID 55545860) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
PubChem CID55545860
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C29H27N3O3/c1-19-11-12-21(20(2)17-19)27-18-24(22-7-3-5-9-25(22)30-27)28(33)31-26-10-6-4-8-23(26)29(34)32-13-15-35-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,31,33)
InChIKeyDVUZQDLLOJJDFJ-UHFFFAOYSA-N
XLogP5.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560497
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
(2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate
CID 23828684
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950320

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide (CID 55545860) is 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
The InChIKey is DVUZQDLLOJJDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-19-11-12-21(20(2)17-19)27-18-24(22-7-3-5-9-25(22)30-27)28(33)31-26-10-6-4-8-23(26)29(34)32-13-15-35-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,31,33).
What are the key properties of 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 55545860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).