5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one

C19H27N3O2 — CID 3169166

IUPAC5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CNCCCN3CCOCC3)cc12
InChIInChI=1S/C19H27N3O2/c1-14-4-5-15(2)18-17(14)12-16(19(23)21-18)13-20-6-3-7-22-8-10-24-11-9-22/h4-5,12,20H,3,6-11,13H2,1-2H3,(H,21,23)
InChIKeyPFCYLSPFMKIMKB-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.96
Rot. Bonds6

About 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one

5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one (PubChem CID 3169166) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
PubChem CID3169166
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CNCCCN3CCOCC3)cc12
InChIInChI=1S/C19H27N3O2/c1-14-4-5-15(2)18-17(14)12-16(19(23)21-18)13-20-6-3-7-22-8-10-24-11-9-22/h4-5,12,20H,3,6-11,13H2,1-2H3,(H,21,23)
InChIKeyPFCYLSPFMKIMKB-UHFFFAOYSA-N
XLogP1.96
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169163
3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3194631
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(oxolan-2-ylmethyl)thiourea
CID 3171793
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 3171782
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 3171788
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 862227
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1136754
2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
CID 91873507
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one (CID 3169166) is 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c(CNCCCN3CCOCC3)cc12.
What is the InChIKey of 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
The InChIKey is PFCYLSPFMKIMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-4-5-15(2)18-17(14)12-16(19(23)21-18)13-20-6-3-7-22-8-10-24-11-9-22/h4-5,12,20H,3,6-11,13H2,1-2H3,(H,21,23).
What are the key properties of 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3169166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).