6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine

C46H52N6O5 — CID 158265137

IUPAC6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)NCCN3CCOCC3)c2c1.Cc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1.NCCN1CCOCC1
InChIInChI=1S/C23H25N3O2.C17H13NO2.C6H14N2O/c1-17-7-8-21-19(15-17)20(16-22(25-21)18-5-3-2-4-6-18)23(27)24-9-10-26-11-13-28-14-12-26;1-11-7-8-15-13(9-11)14(17(19)20)10-16(18-15)12-5-3-2-4-6-12;7-1-2-8-3-5-9-6-4-8/h2-8,15-16H,9-14H2,1H3,(H,24,27);2-10H,1H3,(H,19,20);1-7H2
InChIKeyGIIOTKAJHMDXOZ-UHFFFAOYSA-N
MW768.96 g/mol
LogP6.46
Rot. Bonds9

About 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine

6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine (PubChem CID 158265137) has the molecular formula C46H52N6O5 and a molecular weight of 768.96 g/mol. Its IUPAC name is 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine
PubChem CID158265137
Molecular FormulaC46H52N6O5
Molecular Weight768.96 g/mol
Exact Mass768.40
IUPAC Name6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)NCCN3CCOCC3)c2c1.Cc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1.NCCN1CCOCC1
InChIInChI=1S/C23H25N3O2.C17H13NO2.C6H14N2O/c1-17-7-8-21-19(15-17)20(16-22(25-21)18-5-3-2-4-6-18)23(27)24-9-10-26-11-13-28-14-12-26;1-11-7-8-15-13(9-11)14(17(19)20)10-16(18-15)12-5-3-2-4-6-12;7-1-2-8-3-5-9-6-4-8/h2-8,15-16H,9-14H2,1H3,(H,24,27);2-10H,1H3,(H,19,20);1-7H2
InChIKeyGIIOTKAJHMDXOZ-UHFFFAOYSA-N
XLogP6.46
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine?
The IUPAC name of 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine (CID 158265137) is 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine.
What is the SMILES notation for 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine?
The canonical SMILES for 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine is Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCCN3CCOCC3)c2c1.Cc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1.NCCN1CCOCC1.
What is the InChIKey of 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine?
The InChIKey is GIIOTKAJHMDXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C17H13NO2.C6H14N2O/c1-17-7-8-21-19(15-17)20(16-22(25-21)18-5-3-2-4-6-18)23(27)24-9-10-26-11-13-28-14-12-26;1-11-7-8-15-13(9-11)14(17(19)20)10-16(18-15)12-5-3-2-4-6-12;7-1-2-8-3-5-9-6-4-8/h2-8,15-16H,9-14H2,1H3,(H,24,27);2-10H,1H3,(H,19,20);1-7H2.
What are the key properties of 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine?
6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine has a molecular weight of 768.96 g/mol, XLogP of 6.46, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-morpholin-4-ylethyl)-2-phenylquinoline-4-carboxamide;6-methyl-2-phenylquinoline-4-carboxylic acid;2-morpholin-4-ylethanamine is sourced from PubChem (CID 158265137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).