3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal

C27H34N4O2 — CID 142546006

IUPAC3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal
SMILESCC1CCc2c(ccc3c2nc(CC(C=O)c2ccccc2)n3CCN2CCOCC2)N1C
InChIInChI=1S/C27H34N4O2/c1-20-8-9-23-24(29(20)2)10-11-25-27(23)28-26(18-22(19-32)21-6-4-3-5-7-21)31(25)13-12-30-14-16-33-17-15-30/h3-7,10-11,19-20,22H,8-9,12-18H2,1-2H3
InChIKeyKWUAKIJVQMWUMM-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.66
Rot. Bonds7

About 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal

3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal (PubChem CID 142546006) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal.

Molecular Properties

Compound Name3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal
PubChem CID142546006
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal
SMILESCC1CCc2c(ccc3c2nc(CC(C=O)c2ccccc2)n3CCN2CCOCC2)N1C
InChIInChI=1S/C27H34N4O2/c1-20-8-9-23-24(29(20)2)10-11-25-27(23)28-26(18-22(19-32)21-6-4-3-5-7-21)31(25)13-12-30-14-16-33-17-15-30/h3-7,10-11,19-20,22H,8-9,12-18H2,1-2H3
InChIKeyKWUAKIJVQMWUMM-UHFFFAOYSA-N
XLogP3.66
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal?
The IUPAC name of 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal (CID 142546006) is 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal.
What is the SMILES notation for 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal?
The canonical SMILES for 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal is CC1CCc2c(ccc3c2nc(CC(C=O)c2ccccc2)n3CCN2CCOCC2)N1C.
What is the InChIKey of 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal?
The InChIKey is KWUAKIJVQMWUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-8-9-23-24(29(20)2)10-11-25-27(23)28-26(18-22(19-32)21-6-4-3-5-7-21)31(25)13-12-30-14-16-33-17-15-30/h3-7,10-11,19-20,22H,8-9,12-18H2,1-2H3.
What are the key properties of 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal?
3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal has a molecular weight of 446.60 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal is sourced from PubChem (CID 142546006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).