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

C18H27N3O2+2 — CID 7107864

IUPAC(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
SMILESCc1ccc2cc(C[NH2+]CCC[NH+]3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C18H25N3O2/c1-14-3-4-15-12-16(18(22)20-17(15)11-14)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)/p+2
InChIKeyNOOGVLKSGNUGSH-UHFFFAOYSA-P
MW317.43 g/mol
LogP-0.79
Rot. Bonds6

About (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium (PubChem CID 7107864) has the molecular formula C18H27N3O2+2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium.

Molecular Properties

Compound Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
PubChem CID7107864
Molecular FormulaC18H27N3O2+2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
SMILESCc1ccc2cc(C[NH2+]CCC[NH+]3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C18H25N3O2/c1-14-3-4-15-12-16(18(22)20-17(15)11-14)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)/p+2
InChIKeyNOOGVLKSGNUGSH-UHFFFAOYSA-P
XLogP-0.79
TPSA63.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium with MolForge

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Related Compounds

(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7107871
1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 7108030
3-ethyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7108025
7-methyl-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870829
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 6970121
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 947564
(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 6972371
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447354

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium?
The IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium (CID 7107864) is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium.
What is the SMILES notation for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium?
The canonical SMILES for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium is Cc1ccc2cc(C[NH2+]CCC[NH+]3CCOCC3)c(=O)[nH]c2c1.
What is the InChIKey of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium?
The InChIKey is NOOGVLKSGNUGSH-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H25N3O2/c1-14-3-4-15-12-16(18(22)20-17(15)11-14)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)/p+2.
What are the key properties of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium?
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium has a molecular weight of 317.43 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium is sourced from PubChem (CID 7107864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).