6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one

C18H25N3O2 — CID 3169163

IUPAC6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CNCCCN3CCOCC3)cc2c1
InChIInChI=1S/C18H25N3O2/c1-14-3-4-17-15(11-14)12-16(18(22)20-17)13-19-5-2-6-21-7-9-23-10-8-21/h3-4,11-12,19H,2,5-10,13H2,1H3,(H,20,22)
InChIKeyMJEHTQZYZZULLB-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.65
Rot. Bonds6

About 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one

6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one (PubChem CID 3169163) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
PubChem CID3169163
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CNCCCN3CCOCC3)cc2c1
InChIInChI=1S/C18H25N3O2/c1-14-3-4-17-15(11-14)12-16(18(22)20-17)13-19-5-2-6-21-7-9-23-10-8-21/h3-4,11-12,19H,2,5-10,13H2,1H3,(H,20,22)
InChIKeyMJEHTQZYZZULLB-UHFFFAOYSA-N
XLogP1.65
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.65
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

5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169166
7-methyl-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870829
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424
3-(furan-2-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 1374708
6-ethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870835
1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one
CID 31162418
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40611606
methyl 2-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate
CID 1142021
3-(2,5-dimethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 1166274
3-(2-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 1149471
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one (CID 3169163) is 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CNCCCN3CCOCC3)cc2c1.
What is the InChIKey of 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
The InChIKey is MJEHTQZYZZULLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-3-4-17-15(11-14)12-16(18(22)20-17)13-19-5-2-6-21-7-9-23-10-8-21/h3-4,11-12,19H,2,5-10,13H2,1H3,(H,20,22).
What are the key properties of 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3169163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).