(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

C18H27N3O3+2 — CID 7107871

IUPAC(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
SMILESCOc1ccc2[nH]c(=O)c(C[NH2+]CCC[NH+]3CCOCC3)cc2c1
InChIInChI=1S/C18H25N3O3/c1-23-16-3-4-17-14(12-16)11-15(18(22)20-17)13-19-5-2-6-21-7-9-24-10-8-21/h3-4,11-12,19H,2,5-10,13H2,1H3,(H,20,22)/p+2
InChIKeyIEWZQQAAFANVIX-UHFFFAOYSA-P
MW333.43 g/mol
LogP-1.09
Rot. Bonds7

About (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium (PubChem CID 7107871) has the molecular formula C18H27N3O3+2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium.

Molecular Properties

Compound Name(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
PubChem CID7107871
Molecular FormulaC18H27N3O3+2
Molecular Weight333.43 g/mol
Exact Mass333.20
IUPAC Name(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
SMILESCOc1ccc2[nH]c(=O)c(C[NH2+]CCC[NH+]3CCOCC3)cc2c1
InChIInChI=1S/C18H25N3O3/c1-23-16-3-4-17-14(12-16)11-15(18(22)20-17)13-19-5-2-6-21-7-9-24-10-8-21/h3-4,11-12,19H,2,5-10,13H2,1H3,(H,20,22)/p+2
InChIKeyIEWZQQAAFANVIX-UHFFFAOYSA-P
XLogP-1.09
TPSA72.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium with MolForge

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Launch Full Analysis

Related Compounds

(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7107864
1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea
CID 6970130
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 6970121
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium
CID 7108504
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447354
(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 6972371
6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 4532113
6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one
CID 167805470
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856569
1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
CID 2748202

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium?
The IUPAC name of (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium (CID 7107871) is (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium.
What is the SMILES notation for (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium?
The canonical SMILES for (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium is COc1ccc2[nH]c(=O)c(C[NH2+]CCC[NH+]3CCOCC3)cc2c1.
What is the InChIKey of (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium?
The InChIKey is IEWZQQAAFANVIX-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H25N3O3/c1-23-16-3-4-17-14(12-16)11-15(18(22)20-17)13-19-5-2-6-21-7-9-24-10-8-21/h3-4,11-12,19H,2,5-10,13H2,1H3,(H,20,22)/p+2.
What are the key properties of (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium?
(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium has a molecular weight of 333.43 g/mol, XLogP of -1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium is sourced from PubChem (CID 7107871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).