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

C16H21N2O3+ — CID 4532113

IUPAC6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(C)c(C[NH+]3CCOCC3)c(=O)c2c1
InChIInChI=1S/C16H20N2O3/c1-11-14(10-18-5-7-21-8-6-18)16(19)13-9-12(20-2)3-4-15(13)17-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,19)/p+1
InChIKeyCPTQIORJDPMKKX-UHFFFAOYSA-O
MW289.36 g/mol
LogP0.26
Rot. Bonds3

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

6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one (PubChem CID 4532113) has the molecular formula C16H21N2O3+ and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
PubChem CID4532113
Molecular FormulaC16H21N2O3+
Molecular Weight289.36 g/mol
Exact Mass289.15
IUPAC Name6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(C)c(C[NH+]3CCOCC3)c(=O)c2c1
InChIInChI=1S/C16H20N2O3/c1-11-14(10-18-5-7-21-8-6-18)16(19)13-9-12(20-2)3-4-15(13)17-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,19)/p+1
InChIKeyCPTQIORJDPMKKX-UHFFFAOYSA-O
XLogP0.26
TPSA55.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one (CID 4532113) is 6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one is COc1ccc2[nH]c(C)c(C[NH+]3CCOCC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one?
The InChIKey is CPTQIORJDPMKKX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2O3/c1-11-14(10-18-5-7-21-8-6-18)16(19)13-9-12(20-2)3-4-15(13)17-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,19)/p+1.
What are the key properties of 6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one?
6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one has a molecular weight of 289.36 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 4532113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).