4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one

C16H20N2O — CID 143524850

IUPAC4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
SMILESCC(=O)C(NCc1ccnc2ccccc12)C(C)C
InChIInChI=1S/C16H20N2O/c1-11(2)16(12(3)19)18-10-13-8-9-17-15-7-5-4-6-14(13)15/h4-9,11,16,18H,10H2,1-3H3
InChIKeyAHEBYQZNQIOBLN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.94
Rot. Bonds5

About 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one

4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one (PubChem CID 143524850) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one.

Molecular Properties

Compound Name4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
PubChem CID143524850
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
SMILESCC(=O)C(NCc1ccnc2ccccc12)C(C)C
InChIInChI=1S/C16H20N2O/c1-11(2)16(12(3)19)18-10-13-8-9-17-15-7-5-4-6-14(13)15/h4-9,11,16,18H,10H2,1-3H3
InChIKeyAHEBYQZNQIOBLN-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
CID 115619137
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
CID 63852270
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
tert-butyl N-[2-(quinolin-4-ylmethylamino)propyl]carbamate
CID 107248566
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81378788
1-quinolin-4-ylbutan-2-one
CID 15695851
N,N-dimethyl-2-(quinolin-4-ylmethylamino)acetamide
CID 63850713

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one?
The IUPAC name of 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one (CID 143524850) is 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one.
What is the SMILES notation for 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one?
The canonical SMILES for 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one is CC(=O)C(NCc1ccnc2ccccc12)C(C)C.
What is the InChIKey of 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one?
The InChIKey is AHEBYQZNQIOBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)16(12(3)19)18-10-13-8-9-17-15-7-5-4-6-14(13)15/h4-9,11,16,18H,10H2,1-3H3.
What are the key properties of 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one?
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one is sourced from PubChem (CID 143524850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).