3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide

C16H21N3O — CID 81427173

IUPAC3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
SMILESCC(C)NCCC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-12(2)17-10-8-15(20)19-11-14-6-3-5-13-7-4-9-18-16(13)14/h3-7,9,12,17H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyFOUNWKFPLXYYIX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.24
Rot. Bonds6

About 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide

3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide (PubChem CID 81427173) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
PubChem CID81427173
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
SMILESCC(C)NCCC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-12(2)17-10-8-15(20)19-11-14-6-3-5-13-7-4-9-18-16(13)14/h3-7,9,12,17H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyFOUNWKFPLXYYIX-UHFFFAOYSA-N
XLogP2.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 62369293
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide (CID 81427173) is 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide is CC(C)NCCC(=O)NCc1cccc2cccnc12.
What is the InChIKey of 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide?
The InChIKey is FOUNWKFPLXYYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)17-10-8-15(20)19-11-14-6-3-5-13-7-4-9-18-16(13)14/h3-7,9,12,17H,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide?
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide is sourced from PubChem (CID 81427173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).