2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide

C30H32N4O2 — CID 67379227

IUPAC2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide
SMILESCc1cccc(C(=O)N(C)C(C)c2ccccc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C30H32N4O2/c1-20-8-7-11-25(30(35)33(3)21(2)22-9-5-4-6-10-22)28(20)23-12-13-26-24(18-23)19-27(29(31)32-26)34-14-16-36-17-15-34/h4-13,18-19,21H,14-17H2,1-3H3,(H2,31,32)
InChIKeyCFQCELMNWVQPTJ-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.46
Rot. Bonds5

About 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide

2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide (PubChem CID 67379227) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide
PubChem CID67379227
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide
SMILESCc1cccc(C(=O)N(C)C(C)c2ccccc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C30H32N4O2/c1-20-8-7-11-25(30(35)33(3)21(2)22-9-5-4-6-10-22)28(20)23-12-13-26-24(18-23)19-27(29(31)32-26)34-14-16-36-17-15-34/h4-13,18-19,21H,14-17H2,1-3H3,(H2,31,32)
InChIKeyCFQCELMNWVQPTJ-UHFFFAOYSA-N
XLogP5.46
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide (CID 67379227) is 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide is Cc1cccc(C(=O)N(C)C(C)c2ccccc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide?
The InChIKey is CFQCELMNWVQPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-20-8-7-11-25(30(35)33(3)21(2)22-9-5-4-6-10-22)28(20)23-12-13-26-24(18-23)19-27(29(31)32-26)34-14-16-36-17-15-34/h4-13,18-19,21H,14-17H2,1-3H3,(H2,31,32).
What are the key properties of 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide?
2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide has a molecular weight of 480.61 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 67379227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).