6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one

C17H24N3O2+ — CID 5216381

IUPAC6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCOCC1
InChIInChI=1S/C17H23N3O2/c1-12-15(11-20-6-8-22-9-7-20)17(21)14-10-13(19(2)3)4-5-16(14)18-12/h4-5,10H,6-9,11H2,1-3H3,(H,18,21)/p+1
InChIKeyZYZAWARCVPKIPD-UHFFFAOYSA-O
MW302.40 g/mol
LogP0.32
Rot. Bonds3

About 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one

6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one (PubChem CID 5216381) has the molecular formula C17H24N3O2+ and a molecular weight of 302.40 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
PubChem CID5216381
Molecular FormulaC17H24N3O2+
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCOCC1
InChIInChI=1S/C17H23N3O2/c1-12-15(11-20-6-8-22-9-7-20)17(21)14-10-13(19(2)3)4-5-16(14)18-12/h4-5,10H,6-9,11H2,1-3H3,(H,18,21)/p+1
InChIKeyZYZAWARCVPKIPD-UHFFFAOYSA-O
XLogP0.32
TPSA49.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 4532113
6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212957
[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4621806
ethyl 6-(dimethylamino)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576482
ethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate
CID 4614042
6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one
CID 3391700
6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
CID 4550810
3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
CID 4091501
6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3601199
2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one
CID 7212941
6-(diethylamino)-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one
CID 4050752
methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 4605637

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one (CID 5216381) is 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one is Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCOCC1.
What is the InChIKey of 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one?
The InChIKey is ZYZAWARCVPKIPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N3O2/c1-12-15(11-20-6-8-22-9-7-20)17(21)14-10-13(19(2)3)4-5-16(14)18-12/h4-5,10H,6-9,11H2,1-3H3,(H,18,21)/p+1.
What are the key properties of 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one?
6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one has a molecular weight of 302.40 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 5216381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).