N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide

C36H40N4O6 — CID 161326719

IUPACN-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(O[C@@H]3CCC[C@@H]3O)cc2cn1)C1CC1.O=C(Nc1cc2ccc(O[C@H]3CCC[C@H]3O)cc2cn1)C1CC1
InChIInChI=1S/2C18H20N2O3/c2*21-15-2-1-3-16(15)23-14-7-6-12-9-17(19-10-13(12)8-14)20-18(22)11-4-5-11/h2*6-11,15-16,21H,1-5H2,(H,19,20,22)/t2*15-,16+/m10/s1
InChIKeyVKWHNTBDYPWXPD-CWHDKXGQSA-N
MW624.74 g/mol
LogP5.75
Rot. Bonds8

About N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide

N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 161326719) has the molecular formula C36H40N4O6 and a molecular weight of 624.74 g/mol. Its IUPAC name is N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID161326719
Molecular FormulaC36H40N4O6
Molecular Weight624.74 g/mol
Exact Mass624.29
IUPAC NameN-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(O[C@@H]3CCC[C@@H]3O)cc2cn1)C1CC1.O=C(Nc1cc2ccc(O[C@H]3CCC[C@H]3O)cc2cn1)C1CC1
InChIInChI=1S/2C18H20N2O3/c2*21-15-2-1-3-16(15)23-14-7-6-12-9-17(19-10-13(12)8-14)20-18(22)11-4-5-11/h2*6-11,15-16,21H,1-5H2,(H,19,20,22)/t2*15-,16+/m10/s1
InChIKeyVKWHNTBDYPWXPD-CWHDKXGQSA-N
XLogP5.75
TPSA142.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410850
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115252
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115127
methyl 4-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-2-fluoro-5-methylbenzoate
CID 67974657
N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410357
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120

Frequently Asked Questions

What is the IUPAC name of N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide (CID 161326719) is N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2ccc(O[C@@H]3CCC[C@@H]3O)cc2cn1)C1CC1.O=C(Nc1cc2ccc(O[C@H]3CCC[C@H]3O)cc2cn1)C1CC1.
What is the InChIKey of N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is VKWHNTBDYPWXPD-CWHDKXGQSA-N. The full InChI is InChI=1S/2C18H20N2O3/c2*21-15-2-1-3-16(15)23-14-7-6-12-9-17(19-10-13(12)8-14)20-18(22)11-4-5-11/h2*6-11,15-16,21H,1-5H2,(H,19,20,22)/t2*15-,16+/m10/s1.
What are the key properties of N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 624.74 g/mol, XLogP of 5.75, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 161326719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).