N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide

C25H23N3O — CID 10596013

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2n1
InChIInChI=1S/C25H23N3O/c1-17-15-23(26)22-16-20(13-14-24(22)27-17)28-25(29)21-10-6-5-9-19(21)12-11-18-7-3-2-4-8-18/h2-10,13-16H,11-12H2,1H3,(H2,26,27)(H,28,29)
InChIKeyPEIHTOMPHVPEIY-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.16
Rot. Bonds5

About N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide

N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide (PubChem CID 10596013) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide
PubChem CID10596013
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2n1
InChIInChI=1S/C25H23N3O/c1-17-15-23(26)22-16-20(13-14-24(22)27-17)28-25(29)21-10-6-5-9-19(21)12-11-18-7-3-2-4-8-18/h2-10,13-16H,11-12H2,1H3,(H2,26,27)(H,28,29)
InChIKeyPEIHTOMPHVPEIY-UHFFFAOYSA-N
XLogP5.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide (CID 10596013) is N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide is Cc1cc(N)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2n1.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide?
The InChIKey is PEIHTOMPHVPEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-17-15-23(26)22-16-20(13-14-24(22)27-17)28-25(29)21-10-6-5-9-19(21)12-11-18-7-3-2-4-8-18/h2-10,13-16H,11-12H2,1H3,(H2,26,27)(H,28,29).
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide?
N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 10596013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).