4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one

C16H20N2O — CID 71153530

IUPAC4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one
SMILESCNC(Cc1ccc2ccccc2n1)C(=O)C(C)C
InChIInChI=1S/C16H20N2O/c1-11(2)16(19)15(17-3)10-13-9-8-12-6-4-5-7-14(12)18-13/h4-9,11,15,17H,10H2,1-3H3
InChIKeyYGZGQDTZHQKYLM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.59
Rot. Bonds5

About 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one

4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one (PubChem CID 71153530) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one
PubChem CID71153530
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one
SMILESCNC(Cc1ccc2ccccc2n1)C(=O)C(C)C
InChIInChI=1S/C16H20N2O/c1-11(2)16(19)15(17-3)10-13-9-8-12-6-4-5-7-14(12)18-13/h4-9,11,15,17H,10H2,1-3H3
InChIKeyYGZGQDTZHQKYLM-UHFFFAOYSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-1-quinolin-2-yl-2-(1-sulfanylethylamino)pentan-3-one
CID 146366568
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
3-methyl-2-(quinolin-2-ylmethylamino)butanamide
CID 103699285
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
3-ethoxy-N,4-dimethyl-1-quinolin-2-ylpentan-2-amine
CID 116721300
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one?
The IUPAC name of 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one (CID 71153530) is 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one.
What is the SMILES notation for 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one?
The canonical SMILES for 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one is CNC(Cc1ccc2ccccc2n1)C(=O)C(C)C.
What is the InChIKey of 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one?
The InChIKey is YGZGQDTZHQKYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)16(19)15(17-3)10-13-9-8-12-6-4-5-7-14(12)18-13/h4-9,11,15,17H,10H2,1-3H3.
What are the key properties of 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one?
4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one has a molecular weight of 256.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one is sourced from PubChem (CID 71153530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).