6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one

C19H27N3O — CID 4550810

IUPAC6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCCC(C)C1
InChIInChI=1S/C19H27N3O/c1-13-6-5-9-22(11-13)12-17-14(2)20-18-8-7-15(21(3)4)10-16(18)19(17)23/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,20,23)
InChIKeyXCHYXSOBLQFCNN-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.13
Rot. Bonds3

About 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one

6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one (PubChem CID 4550810) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
PubChem CID4550810
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCCC(C)C1
InChIInChI=1S/C19H27N3O/c1-13-6-5-9-22(11-13)12-17-14(2)20-18-8-7-15(21(3)4)10-16(18)19(17)23/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,20,23)
InChIKeyXCHYXSOBLQFCNN-UHFFFAOYSA-N
XLogP3.13
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 730803
2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one
CID 4122303
6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212957
2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 709619
[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4621806
6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 702770
6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 5216381
2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid
CID 7137955
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-chloro-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
CID 696344
6-bromo-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 1189503
2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 2240733

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
The IUPAC name of 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one (CID 4550810) is 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one is Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCCC(C)C1.
What is the InChIKey of 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
The InChIKey is XCHYXSOBLQFCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13-6-5-9-22(11-13)12-17-14(2)20-18-8-7-15(21(3)4)10-16(18)19(17)23/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,20,23).
What are the key properties of 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one has a molecular weight of 313.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 4550810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).