N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide

C21H21N3O2 — CID 659672

IUPACN-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-15-6-8-16(9-7-15)22-21(25)18-14-20(24-10-12-26-13-11-24)23-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyGZTOUMQNAWHQIB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.63
Rot. Bonds3

About N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide

N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide (PubChem CID 659672) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
PubChem CID659672
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-15-6-8-16(9-7-15)22-21(25)18-14-20(24-10-12-26-13-11-24)23-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyGZTOUMQNAWHQIB-UHFFFAOYSA-N
XLogP3.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 117089575
2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46975816
N-(4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886365
N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 122179714
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 46975815
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide
CID 3266363
2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
CID 22146674
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide (CID 659672) is N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide?
The InChIKey is GZTOUMQNAWHQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-6-8-16(9-7-15)22-21(25)18-14-20(24-10-12-26-13-11-24)23-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3,(H,22,25).
What are the key properties of N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide?
N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 659672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).