2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid

C20H25N3O5 — CID 44784192

IUPAC2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
SMILESCc1cc(NC(=O)CNC2CCCCC2)c2ccccc2n1.O=C(O)C(=O)O
InChIInChI=1S/C18H23N3O.C2H2O4/c1-13-11-17(15-9-5-6-10-16(15)20-13)21-18(22)12-19-14-7-3-2-4-8-14;3-1(4)2(5)6/h5-6,9-11,14,19H,2-4,7-8,12H2,1H3,(H,20,21,22);(H,3,4)(H,5,6)
InChIKeySEPJTVXXMVMHJK-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.56
Rot. Bonds4

About 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid

2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid (PubChem CID 44784192) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
PubChem CID44784192
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
SMILESCc1cc(NC(=O)CNC2CCCCC2)c2ccccc2n1.O=C(O)C(=O)O
InChIInChI=1S/C18H23N3O.C2H2O4/c1-13-11-17(15-9-5-6-10-16(15)20-13)21-18(22)12-19-14-7-3-2-4-8-14;3-1(4)2(5)6/h5-6,9-11,14,19H,2-4,7-8,12H2,1H3,(H,20,21,22);(H,3,4)(H,5,6)
InChIKeySEPJTVXXMVMHJK-UHFFFAOYSA-N
XLogP2.56
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid?
The IUPAC name of 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid (CID 44784192) is 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid?
The canonical SMILES for 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid is Cc1cc(NC(=O)CNC2CCCCC2)c2ccccc2n1.O=C(O)C(=O)O.
What is the InChIKey of 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid?
The InChIKey is SEPJTVXXMVMHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.C2H2O4/c1-13-11-17(15-9-5-6-10-16(15)20-13)21-18(22)12-19-14-7-3-2-4-8-14;3-1(4)2(5)6/h5-6,9-11,14,19H,2-4,7-8,12H2,1H3,(H,20,21,22);(H,3,4)(H,5,6).
What are the key properties of 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid?
2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid has a molecular weight of 387.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid is sourced from PubChem (CID 44784192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).