molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide

C26H27N3O2 — CID 153367729

IUPACmolecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide
SMILESO=C(NC(CCc1ccccc1)C(=O)Nc1cccc2ncccc12)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C26H23N3O2.2H2/c30-25(20-11-5-2-6-12-20)29-24(17-16-19-9-3-1-4-10-19)26(31)28-23-15-7-14-22-21(23)13-8-18-27-22;;/h1-15,18,24H,16-17H2,(H,28,31)(H,29,30);2*1H
InChIKeyMIMFTSPNPZRERR-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.10
Rot. Bonds7

About molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide

molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide (PubChem CID 153367729) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide
PubChem CID153367729
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Namemolecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide
SMILESO=C(NC(CCc1ccccc1)C(=O)Nc1cccc2ncccc12)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C26H23N3O2.2H2/c30-25(20-11-5-2-6-12-20)29-24(17-16-19-9-3-1-4-10-19)26(31)28-23-15-7-14-22-21(23)13-8-18-27-22;;/h1-15,18,24H,16-17H2,(H,28,31)(H,29,30);2*1H
InChIKeyMIMFTSPNPZRERR-UHFFFAOYSA-N
XLogP5.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide
CID 118296422
N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 153367752
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen
CID 144901089
2-(2-phenylethoxy)-N-quinolin-5-ylacetamide
CID 86871261
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide?
The IUPAC name of molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide (CID 153367729) is molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide?
The canonical SMILES for molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide is O=C(NC(CCc1ccccc1)C(=O)Nc1cccc2ncccc12)c1ccccc1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide?
The InChIKey is MIMFTSPNPZRERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2.2H2/c30-25(20-11-5-2-6-12-20)29-24(17-16-19-9-3-1-4-10-19)26(31)28-23-15-7-14-22-21(23)13-8-18-27-22;;/h1-15,18,24H,16-17H2,(H,28,31)(H,29,30);2*1H.
What are the key properties of molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide?
molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 153367729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).