(2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide

C17H21N3O4 — CID 125138786

IUPAC(2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide
SMILESCO[C@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)OC)c2cnccc12
InChIInChI=1S/C17H21N3O4/c1-10(23-3)16(21)19-14-5-6-15(20-17(22)11(2)24-4)13-9-18-8-7-12(13)14/h5-11H,1-4H3,(H,19,21)(H,20,22)/t10-,11-/m1/s1
InChIKeyAJMIGRWREKLKDD-GHMZBOCLSA-N
MW331.37 g/mol
LogP2.18
Rot. Bonds6

About (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide

(2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide (PubChem CID 125138786) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide
PubChem CID125138786
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide
SMILESCO[C@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)OC)c2cnccc12
InChIInChI=1S/C17H21N3O4/c1-10(23-3)16(21)19-14-5-6-15(20-17(22)11(2)24-4)13-9-18-8-7-12(13)14/h5-11H,1-4H3,(H,19,21)(H,20,22)/t10-,11-/m1/s1
InChIKeyAJMIGRWREKLKDD-GHMZBOCLSA-N
XLogP2.18
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloroisoquinolin-8-yl)acetamide
CID 119086837
N-(8-bromoisoquinolin-5-yl)acetamide
CID 18435891
methyl 2-[(5-nitroisoquinolin-8-yl)amino]propanoate
CID 103141316
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-isoquinolin-5-ylsulfonyl-2-methoxypropanamide
CID 102556814
(2S)-N-isoquinolin-5-ylsulfonyl-2-methoxypropanamide
CID 95304570
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide
CID 86963890
N-(2-bromo-4-pyridinyl)-2-methoxypropanamide
CID 131128808
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
2-methoxy-N-(1H-pyrazol-5-yl)propanamide
CID 115596669

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide?
The IUPAC name of (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide (CID 125138786) is (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide.
What is the SMILES notation for (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide?
The canonical SMILES for (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide is CO[C@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)OC)c2cnccc12.
What is the InChIKey of (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide?
The InChIKey is AJMIGRWREKLKDD-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10(23-3)16(21)19-14-5-6-15(20-17(22)11(2)24-4)13-9-18-8-7-12(13)14/h5-11H,1-4H3,(H,19,21)(H,20,22)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide?
(2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide has a molecular weight of 331.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide is sourced from PubChem (CID 125138786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).