N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide

C23H23N5O3 — CID 167966342

IUPACN-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide
SMILESO=C(Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C23H23N5O3/c29-22-17-4-2-1-3-16(17)18(14-24-22)23(30)25-15-5-6-19-20(13-15)27-21(26-19)7-8-28-9-11-31-12-10-28/h1-6,13-14H,7-12H2,(H,24,29)(H,25,30)(H,26,27)
InChIKeyDXSGJUQZZZJJAN-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide

N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide (PubChem CID 167966342) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide
PubChem CID167966342
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide
SMILESO=C(Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C23H23N5O3/c29-22-17-4-2-1-3-16(17)18(14-24-22)23(30)25-15-5-6-19-20(13-15)27-21(26-19)7-8-28-9-11-31-12-10-28/h1-6,13-14H,7-12H2,(H,24,29)(H,25,30)(H,26,27)
InChIKeyDXSGJUQZZZJJAN-UHFFFAOYSA-N
XLogP2.53
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide with MolForge

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Related Compounds

2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
CID 47799919
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47838565
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 60604198
2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide
CID 91941334
2-chloro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47838444
(3R)-1-benzyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95344166
1-[(2R)-butan-2-yl]-5-methyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
CID 124743032
1-butan-2-yl-5-methyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
CID 119047356
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine
CID 96680191
N-(9H-carbazol-2-yl)-4-morpholin-4-ylbutanamide
CID 91294908

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide?
The IUPAC name of N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide (CID 167966342) is N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide is O=C(Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1c[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide?
The InChIKey is DXSGJUQZZZJJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-22-17-4-2-1-3-16(17)18(14-24-22)23(30)25-15-5-6-19-20(13-15)27-21(26-19)7-8-28-9-11-31-12-10-28/h1-6,13-14H,7-12H2,(H,24,29)(H,25,30)(H,26,27).
What are the key properties of N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide?
N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide is sourced from PubChem (CID 167966342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).