2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide

C14H17N3O2 — CID 81428067

IUPAC2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
SMILESCOCC(N)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C14H17N3O2/c1-19-9-12(15)14(18)17-8-11-5-2-4-10-6-3-7-16-13(10)11/h2-7,12H,8-9,15H2,1H3,(H,17,18)
InChIKeyNOTLNPFVOSBQBU-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.82
Rot. Bonds5

About 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide

2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide (PubChem CID 81428067) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
PubChem CID81428067
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
SMILESCOCC(N)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C14H17N3O2/c1-19-9-12(15)14(18)17-8-11-5-2-4-10-6-3-7-16-13(10)11/h2-7,12H,8-9,15H2,1H3,(H,17,18)
InChIKeyNOTLNPFVOSBQBU-UHFFFAOYSA-N
XLogP0.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-3-methoxypropanamide
CID 82738332
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
CID 83337824

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide (CID 81428067) is 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide is COCC(N)C(=O)NCc1cccc2cccnc12.
What is the InChIKey of 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide?
The InChIKey is NOTLNPFVOSBQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-9-12(15)14(18)17-8-11-5-2-4-10-6-3-7-16-13(10)11/h2-7,12H,8-9,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide?
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide has a molecular weight of 259.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide is sourced from PubChem (CID 81428067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).