N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide

C27H25N3O2 — CID 153367752

IUPACN-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide
SMILESO=C(NC(CCCc1ccccc1)C(=O)Nc1cccc2ccncc12)c1ccccc1
InChIInChI=1S/C27H25N3O2/c31-26(22-12-5-2-6-13-22)30-25(16-7-11-20-9-3-1-4-10-20)27(32)29-24-15-8-14-21-17-18-28-19-23(21)24/h1-6,8-10,12-15,17-19,25H,7,11,16H2,(H,29,32)(H,30,31)
InChIKeyLMLIQTISRCRIML-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.99
Rot. Bonds8

About N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide

N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide (PubChem CID 153367752) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide
PubChem CID153367752
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide
SMILESO=C(NC(CCCc1ccccc1)C(=O)Nc1cccc2ccncc12)c1ccccc1
InChIInChI=1S/C27H25N3O2/c31-26(22-12-5-2-6-13-22)30-25(16-7-11-20-9-3-1-4-10-20)27(32)29-24-15-8-14-21-17-18-28-19-23(21)24/h1-6,8-10,12-15,17-19,25H,7,11,16H2,(H,29,32)(H,30,31)
InChIKeyLMLIQTISRCRIML-UHFFFAOYSA-N
XLogP4.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide
CID 153367729
N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen
CID 144901089
4-amino-N-isoquinolin-8-yl-2-methylbutanamide
CID 80543976
isoquinolin-8-ylurea
CID 67363282
2-methyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 175900489
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
N-isoquinolin-8-yl-2-phenylsulfanylbutanamide
CID 166234096
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
3-[(2-methyl-4-phenylbutanoyl)amino]pyridine-4-carboxylic acid
CID 71767725
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
(7S)-7-benzamido-8-oxo-8-(quinolin-6-ylamino)octanoic acid
CID 58840912
N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide
CID 27209357

Frequently Asked Questions

What is the IUPAC name of N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide?
The IUPAC name of N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide (CID 153367752) is N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide.
What is the SMILES notation for N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide?
The canonical SMILES for N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide is O=C(NC(CCCc1ccccc1)C(=O)Nc1cccc2ccncc12)c1ccccc1.
What is the InChIKey of N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide?
The InChIKey is LMLIQTISRCRIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-26(22-12-5-2-6-13-22)30-25(16-7-11-20-9-3-1-4-10-20)27(32)29-24-15-8-14-21-17-18-28-19-23(21)24/h1-6,8-10,12-15,17-19,25H,7,11,16H2,(H,29,32)(H,30,31).
What are the key properties of N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide?
N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide is sourced from PubChem (CID 153367752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).