(2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide

C17H25N3O2 — CID 141287313

IUPAC(2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide
SMILESN[C@H](C(=O)Nc1cc2c([nH]c1=O)CCCC2)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-15(11-6-2-1-3-7-11)17(22)20-14-10-12-8-4-5-9-13(12)19-16(14)21/h10-11,15H,1-9,18H2,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeySTTQQLWHCBUXIG-HNNXBMFYSA-N
MW303.41 g/mol
LogP2.10
Rot. Bonds3

About (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide

(2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide (PubChem CID 141287313) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide
PubChem CID141287313
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide
SMILESN[C@H](C(=O)Nc1cc2c([nH]c1=O)CCCC2)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-15(11-6-2-1-3-7-11)17(22)20-14-10-12-8-4-5-9-13(12)19-16(14)21/h10-11,15H,1-9,18H2,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeySTTQQLWHCBUXIG-HNNXBMFYSA-N
XLogP2.10
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide (CID 141287313) is (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide is N[C@H](C(=O)Nc1cc2c([nH]c1=O)CCCC2)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide?
The InChIKey is STTQQLWHCBUXIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-15(11-6-2-1-3-7-11)17(22)20-14-10-12-8-4-5-9-13(12)19-16(14)21/h10-11,15H,1-9,18H2,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide?
(2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 141287313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).