1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one

C24H30N2O3 — CID 86301465

IUPAC1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1Cc1ccccc1
InChIInChI=1S/C24H30N2O3/c27-24-11-8-21-18-22(29-15-5-4-12-25-13-16-28-17-14-25)9-10-23(21)26(24)19-20-6-2-1-3-7-20/h1-3,6-7,9-10,18H,4-5,8,11-17,19H2
InChIKeyNQUIXXUCTTZOBF-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.66
Rot. Bonds8

About 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one

1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one (PubChem CID 86301465) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
PubChem CID86301465
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1Cc1ccccc1
InChIInChI=1S/C24H30N2O3/c27-24-11-8-21-18-22(29-15-5-4-12-25-13-16-28-17-14-25)9-10-23(21)26(24)19-20-6-2-1-3-7-20/h1-3,6-7,9-10,18H,4-5,8,11-17,19H2
InChIKeyNQUIXXUCTTZOBF-UHFFFAOYSA-N
XLogP3.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
CID 90654937
4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid
CID 175305736
1-[[3-(4-morpholin-4-ylbutoxy)phenyl]methyl]-1,4-diazepan-5-one
CID 77093940
1-benzyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-2H-quinoline
CID 44589460
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 12899515
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
6-(5-morpholin-4-ylpentoxy)chromen-4-one
CID 162664969
1-benzyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 53135752
3-benzyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 10429768
1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one
CID 23363964
3-[4-(4-benzylpiperazin-1-yl)butoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 78427207

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one (CID 86301465) is 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one?
The InChIKey is NQUIXXUCTTZOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-24-11-8-21-18-22(29-15-5-4-12-25-13-16-28-17-14-25)9-10-23(21)26(24)19-20-6-2-1-3-7-20/h1-3,6-7,9-10,18H,4-5,8,11-17,19H2.
What are the key properties of 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one?
1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86301465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).