N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide

C20H27N3O3 — CID 134027137

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cc2ccccc2c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-14(2)11-16(23-7-9-26-10-8-23)13-21-20(25)18-12-15-5-3-4-6-17(15)19(24)22-18/h3-6,12,14,16H,7-11,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyIDUMAUIVJQQUMQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.00
Rot. Bonds6

About N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide

N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 134027137) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID134027137
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cc2ccccc2c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-14(2)11-16(23-7-9-26-10-8-23)13-21-20(25)18-12-15-5-3-4-6-17(15)19(24)22-18/h3-6,12,14,16H,7-11,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyIDUMAUIVJQQUMQ-UHFFFAOYSA-N
XLogP2.00
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 99804543
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-1H-quinoline-4-carboxamide
CID 134027047
5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-2-carboxamide
CID 46557915
3-hydroxy-N-(4-methyl-2-morpholin-4-ylpentyl)naphthalene-2-carboxamide
CID 46540851
N-(4-methyl-2-morpholin-4-ylpentyl)-2-naphthalen-2-ylacetamide
CID 46540850
N-(2-ethylbutyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 115612850
3-methyl-4-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid
CID 81064080
N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24633688
2-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 110403268
2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide
CID 46540916
N-(2-methylpropoxy)-1-oxo-2H-isoquinoline-3-carboxamide
CID 115409869
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 51926791

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide (CID 134027137) is N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide is CC(C)CC(CNC(=O)c1cc2ccccc2c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is IDUMAUIVJQQUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)11-16(23-7-9-26-10-8-23)13-21-20(25)18-12-15-5-3-4-6-17(15)19(24)22-18/h3-6,12,14,16H,7-11,13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 134027137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).