N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide

C24H27N3O3 — CID 56501654

IUPACN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H27N3O3/c1-18(16-26-11-13-30-14-12-26)27(17-19-7-3-2-4-8-19)24(29)22-15-20-9-5-6-10-21(20)23(28)25-22/h2-10,15,18H,11-14,16-17H2,1H3,(H,25,28)
InChIKeyGOMCEYVHTBUWFF-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.89
Rot. Bonds6

About N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide

N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 56501654) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID56501654
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H27N3O3/c1-18(16-26-11-13-30-14-12-26)27(17-19-7-3-2-4-8-19)24(29)22-15-20-9-5-6-10-21(20)23(28)25-22/h2-10,15,18H,11-14,16-17H2,1H3,(H,25,28)
InChIKeyGOMCEYVHTBUWFF-UHFFFAOYSA-N
XLogP2.89
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 56500994
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CID 56501396
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
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2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661
N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500983
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56501664
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 60575299
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide (CID 56501654) is N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide is CC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is GOMCEYVHTBUWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18(16-26-11-13-30-14-12-26)27(17-19-7-3-2-4-8-19)24(29)22-15-20-9-5-6-10-21(20)23(28)25-22/h2-10,15,18H,11-14,16-17H2,1H3,(H,25,28).
What are the key properties of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide?
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 56501654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).