2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde

C27H28N4O3 — CID 90309318

IUPAC2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde
SMILESCOC1=CC=CNC1(C=O)c1cccc(C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H28N4O3/c1-18-5-3-6-21(27(17-32)24(33-2)7-4-10-29-27)25(18)19-8-9-22-20(15-19)16-23(26(28)30-22)31-11-13-34-14-12-31/h3-10,15-17,29H,11-14H2,1-2H3,(H2,28,30)
InChIKeyVQGHGXOXJNRDJC-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.67
Rot. Bonds5

About 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde

2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde (PubChem CID 90309318) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde
PubChem CID90309318
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde
SMILESCOC1=CC=CNC1(C=O)c1cccc(C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H28N4O3/c1-18-5-3-6-21(27(17-32)24(33-2)7-4-10-29-27)25(18)19-8-9-22-20(15-19)16-23(26(28)30-22)31-11-13-34-14-12-31/h3-10,15-17,29H,11-14H2,1-2H3,(H2,28,30)
InChIKeyVQGHGXOXJNRDJC-UHFFFAOYSA-N
XLogP3.67
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde
CID 90309269
6-[2-(3,3-dimethylbut-1-ynyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329537
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde
CID 90309323
6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 71260946
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methyl-2-pyridinyl)methanone
CID 71253478
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
CID 71253386
6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329890
N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide
CID 53329886
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde
CID 90309355
6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 123721880
3-morpholin-4-yl-6-phenylquinolin-2-amine
CID 173067500
6-[2-(benzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 86676838

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde?
The IUPAC name of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde (CID 90309318) is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde is COC1=CC=CNC1(C=O)c1cccc(C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde?
The InChIKey is VQGHGXOXJNRDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-18-5-3-6-21(27(17-32)24(33-2)7-4-10-29-27)25(18)19-8-9-22-20(15-19)16-23(26(28)30-22)31-11-13-34-14-12-31/h3-10,15-17,29H,11-14H2,1-2H3,(H2,28,30).
What are the key properties of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde?
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde has a molecular weight of 456.55 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 90309318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).