2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide

C18H17N3O — CID 44596230

IUPAC2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H17N3O/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18(22)21-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyHRXVDSHQRNNGBO-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.59
Rot. Bonds4

About 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide

2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide (PubChem CID 44596230) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide
PubChem CID44596230
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H17N3O/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18(22)21-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyHRXVDSHQRNNGBO-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide?
The IUPAC name of 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide (CID 44596230) is 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide is Cc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide?
The InChIKey is HRXVDSHQRNNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18(22)21-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide?
2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide has a molecular weight of 291.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-4-yl)amino]-N-phenylacetamide is sourced from PubChem (CID 44596230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).