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

C27H32N4O2 — CID 90309355

IUPAC2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde
SMILESCc1cccc(C2CC(C)CCN2C=O)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H32N4O2/c1-18-8-9-31(17-32)24(14-18)22-5-3-4-19(2)26(22)20-6-7-23-21(15-20)16-25(27(28)29-23)30-10-12-33-13-11-30/h3-7,15-18,24H,8-14H2,1-2H3,(H2,28,29)
InChIKeyDMGZKROYTPHQBN-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.56
Rot. Bonds4

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

2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde (PubChem CID 90309355) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde
PubChem CID90309355
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde
SMILESCc1cccc(C2CC(C)CCN2C=O)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H32N4O2/c1-18-8-9-31(17-32)24(14-18)22-5-3-4-19(2)26(22)20-6-7-23-21(15-20)16-25(27(28)29-23)30-10-12-33-13-11-30/h3-7,15-18,24H,8-14H2,1-2H3,(H2,28,29)
InChIKeyDMGZKROYTPHQBN-UHFFFAOYSA-N
XLogP4.56
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]-2,5-dihydropyrrole-1-carbaldehyde
CID 90309323
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde
CID 90309269
6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 71260946
6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329890
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 71253357
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
CID 71253386
6-[2-(3,3-dimethylbut-1-ynyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329537
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]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 53330406
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 71253102
3-morpholin-4-yl-6-phenylquinolin-2-amine
CID 173067500

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde?
The IUPAC name of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde (CID 90309355) is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde.
What is the SMILES notation for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde?
The canonical SMILES for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde is Cc1cccc(C2CC(C)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]-4-methylpiperidine-1-carbaldehyde?
The InChIKey is DMGZKROYTPHQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-18-8-9-31(17-32)24(14-18)22-5-3-4-19(2)26(22)20-6-7-23-21(15-20)16-25(27(28)29-23)30-10-12-33-13-11-30/h3-7,15-18,24H,8-14H2,1-2H3,(H2,28,29).
What are the key properties of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde?
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde has a molecular weight of 444.58 g/mol, XLogP of 4.56, 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]-4-methylpiperidine-1-carbaldehyde is sourced from PubChem (CID 90309355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).