(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide

C16H22N2O3 — CID 97109094

IUPAC(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
SMILESCCCN1C(=O)CCc2cc(NC(=O)[C@H](C)OC)ccc21
InChIInChI=1S/C16H22N2O3/c1-4-9-18-14-7-6-13(17-16(20)11(2)21-3)10-12(14)5-8-15(18)19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyPYNHQNPBMIYTIT-NSHDSACASA-N
MW290.36 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide

(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide (PubChem CID 97109094) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
PubChem CID97109094
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
SMILESCCCN1C(=O)CCc2cc(NC(=O)[C@H](C)OC)ccc21
InChIInChI=1S/C16H22N2O3/c1-4-9-18-14-7-6-13(17-16(20)11(2)21-3)10-12(14)5-8-15(18)19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyPYNHQNPBMIYTIT-NSHDSACASA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 120994000
2-(2-hydroxyphenyl)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide
CID 166213006
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926732
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
2,6-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926742
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796
(2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide
CID 99840589
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)thiophene-3-carboxamide
CID 71842958
3,4-dichloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926773
3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid
CID 122088702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide?
The IUPAC name of (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide (CID 97109094) is (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide.
What is the SMILES notation for (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide?
The canonical SMILES for (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide is CCCN1C(=O)CCc2cc(NC(=O)[C@H](C)OC)ccc21.
What is the InChIKey of (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide?
The InChIKey is PYNHQNPBMIYTIT-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-9-18-14-7-6-13(17-16(20)11(2)21-3)10-12(14)5-8-15(18)19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide?
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide is sourced from PubChem (CID 97109094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).