2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde

C28H34N4O2 — CID 90309269

IUPAC2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde
SMILESCc1cccc(C2(C)CCCC(C)N2C=O)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C28H34N4O2/c1-19-6-4-8-23(28(3)11-5-7-20(2)32(28)18-33)26(19)21-9-10-24-22(16-21)17-25(27(29)30-24)31-12-14-34-15-13-31/h4,6,8-10,16-18,20H,5,7,11-15H2,1-3H3,(H2,29,30)
InChIKeyNDAVVWNERDOVNZ-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.88
Rot. Bonds4

About 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde

2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde (PubChem CID 90309269) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde
PubChem CID90309269
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde
SMILESCc1cccc(C2(C)CCCC(C)N2C=O)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C28H34N4O2/c1-19-6-4-8-23(28(3)11-5-7-20(2)32(28)18-33)26(19)21-9-10-24-22(16-21)17-25(27(29)30-24)31-12-14-34-15-13-31/h4,6,8-10,16-18,20H,5,7,11-15H2,1-3H3,(H2,29,30)
InChIKeyNDAVVWNERDOVNZ-UHFFFAOYSA-N
XLogP4.88
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde?
The IUPAC name of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde (CID 90309269) is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde.
What is the SMILES notation for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde?
The canonical SMILES for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde is Cc1cccc(C2(C)CCCC(C)N2C=O)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde?
The InChIKey is NDAVVWNERDOVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-19-6-4-8-23(28(3)11-5-7-20(2)32(28)18-33)26(19)21-9-10-24-22(16-21)17-25(27(29)30-24)31-12-14-34-15-13-31/h4,6,8-10,16-18,20H,5,7,11-15H2,1-3H3,(H2,29,30).
What are the key properties of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde?
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde has a molecular weight of 458.61 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde is sourced from PubChem (CID 90309269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).