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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[4-[9-(6-amino-3-pyridinyl)-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidin-1-yl]acetate
CID 137635822
4-[9-(6-Amino-3-pyridinyl)-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidine-1-carbaldehyde
CID 137645662
4-[9-(6-Amino-3-pyridinyl)-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidine-1-carboxamide
CID 137648193
9-(6-Amino-3-pyridinyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[2,3-c]quinolin-2-one
CID 137650921
4-[4-Methyl-6-[(4-methyl-2-morpholino-6-quinolyl)methyl]-2-quinolyl]morpholine
CID 408514
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
CID 22426964
4-[2-(1,3,10,12-Tetrazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2,4,6,8,10,15,17,19-octaen-12-yl)ethyl]morpholine
CID 162655758
N-(2,4-dimethylphenyl)-N'-[8-fluoro-2-(morpholin-4-yl)quinolin-6-yl]urea
CID 53110817
4-[4-Methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride
CID 54603831
4-[3-(2-Morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine
CID 71449888
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 15997025
4-[6-Methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine
CID 4693893

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).