2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide

C25H28N4O4 — CID 67267986

IUPAC2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide
SMILESCc1cc(NC(=O)C(CC(C)C)Oc2ccc3ccnc(N)c3c2)ccc1N1CCOC1=O
InChIInChI=1S/C25H28N4O4/c1-15(2)12-22(33-19-6-4-17-8-9-27-23(26)20(17)14-19)24(30)28-18-5-7-21(16(3)13-18)29-10-11-32-25(29)31/h4-9,13-15,22H,10-12H2,1-3H3,(H2,26,27)(H,28,30)
InChIKeyLOKUVVYBSCVHRY-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.51
Rot. Bonds7

About 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide

2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide (PubChem CID 67267986) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide
PubChem CID67267986
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide
SMILESCc1cc(NC(=O)C(CC(C)C)Oc2ccc3ccnc(N)c3c2)ccc1N1CCOC1=O
InChIInChI=1S/C25H28N4O4/c1-15(2)12-22(33-19-6-4-17-8-9-27-23(26)20(17)14-19)24(30)28-18-5-7-21(16(3)13-18)29-10-11-32-25(29)31/h4-9,13-15,22H,10-12H2,1-3H3,(H2,26,27)(H,28,30)
InChIKeyLOKUVVYBSCVHRY-UHFFFAOYSA-N
XLogP4.51
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide
CID 67267856
N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide
CID 58181545
2-(1-aminoisoquinolin-7-yl)oxy-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 67268862
2-(1-aminoisoquinolin-7-yl)oxypentanoic acid
CID 142129089
(2S)-N-[4-(2-ethyliminopiperidin-1-yl)phenyl]-2-isoquinolin-7-yloxy-4-methylpentanamide
CID 67565017
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
CID 118501226
2-(3-carbamimidoylphenoxy)-N-[3-methyl-4-(2-oxoazepan-1-yl)phenyl]pentanamide
CID 69338531
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133160545
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide
CID 69353849
2-[4-(2H-azirin-2-yl)-3-(trifluoromethyl)phenoxy]-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 143123217
2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
2-amino-4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 62475194

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide?
The IUPAC name of 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide (CID 67267986) is 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide.
What is the SMILES notation for 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide?
The canonical SMILES for 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide is Cc1cc(NC(=O)C(CC(C)C)Oc2ccc3ccnc(N)c3c2)ccc1N1CCOC1=O.
What is the InChIKey of 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide?
The InChIKey is LOKUVVYBSCVHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-15(2)12-22(33-19-6-4-17-8-9-27-23(26)20(17)14-19)24(30)28-18-5-7-21(16(3)13-18)29-10-11-32-25(29)31/h4-9,13-15,22H,10-12H2,1-3H3,(H2,26,27)(H,28,30).
What are the key properties of 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide?
2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide has a molecular weight of 448.52 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pentanamide is sourced from PubChem (CID 67267986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).