2-amino-N-(quinolin-8-ylmethyl)propanamide

C13H15N3O — CID 81427001

IUPAC2-amino-N-(quinolin-8-ylmethyl)propanamide
SMILESCC(N)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C13H15N3O/c1-9(14)13(17)16-8-11-5-2-4-10-6-3-7-15-12(10)11/h2-7,9H,8,14H2,1H3,(H,16,17)
InChIKeyKXPOOOWLAUVDKG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.20
Rot. Bonds3

About 2-amino-N-(quinolin-8-ylmethyl)propanamide

2-amino-N-(quinolin-8-ylmethyl)propanamide (PubChem CID 81427001) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-N-(quinolin-8-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(quinolin-8-ylmethyl)propanamide
PubChem CID81427001
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-amino-N-(quinolin-8-ylmethyl)propanamide
SMILESCC(N)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C13H15N3O/c1-9(14)13(17)16-8-11-5-2-4-10-6-3-7-15-12(10)11/h2-7,9H,8,14H2,1H3,(H,16,17)
InChIKeyKXPOOOWLAUVDKG-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(quinolin-8-ylmethyl)propanamide?
The IUPAC name of 2-amino-N-(quinolin-8-ylmethyl)propanamide (CID 81427001) is 2-amino-N-(quinolin-8-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-N-(quinolin-8-ylmethyl)propanamide?
The canonical SMILES for 2-amino-N-(quinolin-8-ylmethyl)propanamide is CC(N)C(=O)NCc1cccc2cccnc12.
What is the InChIKey of 2-amino-N-(quinolin-8-ylmethyl)propanamide?
The InChIKey is KXPOOOWLAUVDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(14)13(17)16-8-11-5-2-4-10-6-3-7-15-12(10)11/h2-7,9H,8,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(quinolin-8-ylmethyl)propanamide?
2-amino-N-(quinolin-8-ylmethyl)propanamide has a molecular weight of 229.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(quinolin-8-ylmethyl)propanamide is sourced from PubChem (CID 81427001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).