[4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate

C24H23N3O4 — CID 142446837

IUPAC[4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate
SMILESO=C(Nc1ccc2cnccc2c1)[C@@H]1C[C@H]1c1ccc(OC(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H23N3O4/c28-23(26-19-4-1-18-15-25-8-7-17(18)13-19)22-14-21(22)16-2-5-20(6-3-16)31-24(29)27-9-11-30-12-10-27/h1-8,13,15,21-22H,9-12,14H2,(H,26,28)/t21-,22+/m0/s1
InChIKeyOQUMVHIALQSMKV-FCHUYYIVSA-N
MW417.47 g/mol
LogP3.81
Rot. Bonds4

About [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate

[4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate (PubChem CID 142446837) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate
PubChem CID142446837
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name[4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate
SMILESO=C(Nc1ccc2cnccc2c1)[C@@H]1C[C@H]1c1ccc(OC(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H23N3O4/c28-23(26-19-4-1-18-15-25-8-7-17(18)13-19)22-14-21(22)16-2-5-20(6-3-16)31-24(29)27-9-11-30-12-10-27/h1-8,13,15,21-22H,9-12,14H2,(H,26,28)/t21-,22+/m0/s1
InChIKeyOQUMVHIALQSMKV-FCHUYYIVSA-N
XLogP3.81
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate with MolForge

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Related Compounds

N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 135200030
4-[2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzoic acid
CID 135349582
sulfane;trans-(1S,2S)-N-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
CID 159567121
N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide
CID 146436490
tert-butyl 4-[[[4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 135349493
4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide
CID 142446993
N-isoquinolin-6-yl-2-[4-(thiophene-2-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 135199989
4-[(1R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-(pyridin-3-ylmethyl)benzamide
CID 155370478
tert-butyl 2-[[[4-[2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzoyl]amino]methyl]pyrrolidine-1-carboxylate
CID 159412877
trans-(1R,2R)-N-isoquinolin-6-yl-2-[4-(piperidin-4-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 135374939
N-(2-ethylpentyl)-4-[2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzamide
CID 155370547
N-(2-morpholin-4-ylethyl)-4-[(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclopropyl]benzamide
CID 174090422

Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate?
The IUPAC name of [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate (CID 142446837) is [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate is O=C(Nc1ccc2cnccc2c1)[C@@H]1C[C@H]1c1ccc(OC(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate?
The InChIKey is OQUMVHIALQSMKV-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-23(26-19-4-1-18-15-25-8-7-17(18)13-19)22-14-21(22)16-2-5-20(6-3-16)31-24(29)27-9-11-30-12-10-27/h1-8,13,15,21-22H,9-12,14H2,(H,26,28)/t21-,22+/m0/s1.
What are the key properties of [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate?
[4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate has a molecular weight of 417.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 142446837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).