N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide

C23H19N3O4 — CID 100712098

IUPACN-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1
InChIInChI=1S/C23H19N3O4/c1-15(17-7-6-16-4-2-3-5-18(16)12-17)24-22(27)14-25-21-10-9-20(26(29)30)13-19(21)8-11-23(25)28/h2-13,15H,14H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyYVDHRELXRVNGPN-HNNXBMFYSA-N
MW401.42 g/mol
LogP3.94
Rot. Bonds5

About N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide

N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide (PubChem CID 100712098) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide
PubChem CID100712098
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1
InChIInChI=1S/C23H19N3O4/c1-15(17-7-6-16-4-2-3-5-18(16)12-17)24-22(27)14-25-21-10-9-20(26(29)30)13-19(21)8-11-23(25)28/h2-13,15H,14H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyYVDHRELXRVNGPN-HNNXBMFYSA-N
XLogP3.94
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-naphthalen-2-ylethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 46801213
2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 46559978
2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 55733783
2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide
CID 46178562
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one
CID 158476838
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849
2-(3-methyl-2-oxoquinolin-1-yl)-N-(1-phenylethyl)acetamide
CID 110680331
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 17464666
N-(1-naphthalen-2-ylethyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353679
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
CID 7890378
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890090

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide (CID 100712098) is N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide is C[C@H](NC(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide?
The InChIKey is YVDHRELXRVNGPN-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-15(17-7-6-16-4-2-3-5-18(16)12-17)24-22(27)14-25-21-10-9-20(26(29)30)13-19(21)8-11-23(25)28/h2-13,15H,14H2,1H3,(H,24,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide?
N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide has a molecular weight of 401.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 100712098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).