N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide

C28H34N4O3 — CID 57143878

IUPACN-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
SMILESNC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCCC1
InChIInChI=1S/C28H34N4O3/c29-27(34)21(20-12-6-1-2-7-13-20)17-26(33)24(16-19-10-4-3-5-11-19)32-28(35)25-18-30-22-14-8-9-15-23(22)31-25/h3-5,8-11,14-15,18,20-21,24,26,33H,1-2,6-7,12-13,16-17H2,(H2,29,34)(H,32,35)/t21-,24-,26-/m0/s1
InChIKeyJVIJAFZXKPWXPR-CVJWPJSTSA-N
MW474.61 g/mol
LogP3.79
Rot. Bonds9

About N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide

N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide (PubChem CID 57143878) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
PubChem CID57143878
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
SMILESNC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCCC1
InChIInChI=1S/C28H34N4O3/c29-27(34)21(20-12-6-1-2-7-13-20)17-26(33)24(16-19-10-4-3-5-11-19)32-28(35)25-18-30-22-14-8-9-15-23(22)31-25/h3-5,8-11,14-15,18,20-21,24,26,33H,1-2,6-7,12-13,16-17H2,(H2,29,34)(H,32,35)/t21-,24-,26-/m0/s1
InChIKeyJVIJAFZXKPWXPR-CVJWPJSTSA-N
XLogP3.79
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide
CID 159447883
N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide
CID 22452505
N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide
CID 57100835
N-[(2S,3S,5R)-6-amino-3-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 57012011
N-[(2S,3S,5S)-3-hydroxy-6-(hydroxyamino)-5-(1-hydroxycycloheptyl)-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 56980513
N-[(2S,3S,5R)-5-[(4,4-difluorocyclohexyl)methyl]-3-hydroxy-6-(methylamino)-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 54355559
N-[5-(4,4-difluorocyclohexyl)-3-hydroxy-6-(hydroxyamino)-6-oxo-1-thiophen-2-ylhexan-2-yl]quinoxaline-2-carboxamide
CID 57245047
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4051543
N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-naphthalen-2-ylnonan-2-yl]quinoxaline-2-carboxamide
CID 56996151
N-[5-[(acetylhydrazinylidene)methyl]-8-fluoro-3-hydroxy-8-methyl-1-phenylnonan-2-yl]quinoxaline-2-carboxamide
CID 90937784
N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide
CID 57217920

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide (CID 57143878) is N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide is NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCCC1.
What is the InChIKey of N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is JVIJAFZXKPWXPR-CVJWPJSTSA-N. The full InChI is InChI=1S/C28H34N4O3/c29-27(34)21(20-12-6-1-2-7-13-20)17-26(33)24(16-19-10-4-3-5-11-19)32-28(35)25-18-30-22-14-8-9-15-23(22)31-25/h3-5,8-11,14-15,18,20-21,24,26,33H,1-2,6-7,12-13,16-17H2,(H2,29,34)(H,32,35)/t21-,24-,26-/m0/s1.
What are the key properties of N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide?
N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.79, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 57143878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).