2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde

C25H26N4O2 — CID 90309323

IUPAC2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde
SMILESCc1cccc(C2C=CCN2C=O)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C25H26N4O2/c1-17-4-2-5-20(22-6-3-9-29(22)16-30)24(17)18-7-8-21-19(14-18)15-23(25(26)27-21)28-10-12-31-13-11-28/h2-8,14-16,22H,9-13H2,1H3,(H2,26,27)
InChIKeyQYUIBEBMTILWEO-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.70
Rot. Bonds4

About 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde

2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde (PubChem CID 90309323) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde
PubChem CID90309323
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde
SMILESCc1cccc(C2C=CCN2C=O)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C25H26N4O2/c1-17-4-2-5-20(22-6-3-9-29(22)16-30)24(17)18-7-8-21-19(14-18)15-23(25(26)27-21)28-10-12-31-13-11-28/h2-8,14-16,22H,9-13H2,1H3,(H2,26,27)
InChIKeyQYUIBEBMTILWEO-UHFFFAOYSA-N
XLogP3.70
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde
CID 90309355
6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 71260946
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]-2,6-dimethylpiperidine-1-carbaldehyde
CID 90309269
[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
6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 123721880
[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]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 71253357
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-3-methoxy-1H-pyridine-2-carbaldehyde
CID 90309318
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]-2,5-dihydropyrrole-1-carbaldehyde?
The IUPAC name of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde (CID 90309323) is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde.
What is the SMILES notation for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde?
The canonical SMILES for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde is Cc1cccc(C2C=CCN2C=O)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde?
The InChIKey is QYUIBEBMTILWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17-4-2-5-20(22-6-3-9-29(22)16-30)24(17)18-7-8-21-19(14-18)15-23(25(26)27-21)28-10-12-31-13-11-28/h2-8,14-16,22H,9-13H2,1H3,(H2,26,27).
What are the key properties of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde?
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde has a molecular weight of 414.51 g/mol, XLogP of 3.70, 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]-2,5-dihydropyrrole-1-carbaldehyde is sourced from PubChem (CID 90309323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).