N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C25H31N3O3 — CID 55899307

IUPACN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCc1ccc(C(CNC(=O)CCC2Cc3ccccc3NC2=O)N2CCOCC2)cc1
InChIInChI=1S/C25H31N3O3/c1-18-6-8-19(9-7-18)23(28-12-14-31-15-13-28)17-26-24(29)11-10-21-16-20-4-2-3-5-22(20)27-25(21)30/h2-9,21,23H,10-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyXSKBTRZKENTKDG-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 55899307) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID55899307
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCc1ccc(C(CNC(=O)CCC2Cc3ccccc3NC2=O)N2CCOCC2)cc1
InChIInChI=1S/C25H31N3O3/c1-18-6-8-19(9-7-18)23(28-12-14-31-15-13-28)17-26-24(29)11-10-21-16-20-4-2-3-5-22(20)27-25(21)30/h2-9,21,23H,10-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyXSKBTRZKENTKDG-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 22694279
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
CID 120564908
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 55899307) is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is Cc1ccc(C(CNC(=O)CCC2Cc3ccccc3NC2=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is XSKBTRZKENTKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-6-8-19(9-7-18)23(28-12-14-31-15-13-28)17-26-24(29)11-10-21-16-20-4-2-3-5-22(20)27-25(21)30/h2-9,21,23H,10-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 421.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 55899307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).