3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide

C17H21N3O2 — CID 113133160

IUPAC3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)c1cccc2cccnc12
InChIInChI=1S/C17H21N3O2/c1-12(2)19-16(22)9-11-20(13(3)21)15-8-4-6-14-7-5-10-18-17(14)15/h4-8,10,12H,9,11H2,1-3H3,(H,19,22)
InChIKeyXBQFTWJPOBGJLH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.50
Rot. Bonds5

About 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide

3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 113133160) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
PubChem CID113133160
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)c1cccc2cccnc12
InChIInChI=1S/C17H21N3O2/c1-12(2)19-16(22)9-11-20(13(3)21)15-8-4-6-14-7-5-10-18-17(14)15/h4-8,10,12H,9,11H2,1-3H3,(H,19,22)
InChIKeyXBQFTWJPOBGJLH-UHFFFAOYSA-N
XLogP2.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide
CID 113133291
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
CID 113133258
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
CID 113126629
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113063169
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698
N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758
2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
CID 113178742
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide (CID 113133160) is 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide is CC(=O)N(CCC(=O)NC(C)C)c1cccc2cccnc12.
What is the InChIKey of 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is XBQFTWJPOBGJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)19-16(22)9-11-20(13(3)21)15-8-4-6-14-7-5-10-18-17(14)15/h4-8,10,12H,9,11H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide?
3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113133160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).