3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone

C24H23N3O3 — CID 2978774

IUPAC3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone
SMILESO=C(c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1)N1CCCc2ccccc21
InChIInChI=1S/C24H23N3O3/c28-24(26-16-6-10-19-9-4-5-11-22(19)26)20-12-13-21(23(17-20)27(29)30)25-15-14-18-7-2-1-3-8-18/h1-5,7-9,11-13,17,25H,6,10,14-16H2
InChIKeyWPIQWSWMQDUVMI-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.84
Rot. Bonds6

About 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone (PubChem CID 2978774) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone
PubChem CID2978774
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone
SMILESO=C(c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1)N1CCCc2ccccc21
InChIInChI=1S/C24H23N3O3/c28-24(26-16-6-10-19-9-4-5-11-22(19)26)20-12-13-21(23(17-20)27(29)30)25-15-14-18-7-2-1-3-8-18/h1-5,7-9,11-13,17,25H,6,10,14-16H2
InChIKeyWPIQWSWMQDUVMI-UHFFFAOYSA-N
XLogP4.84
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]methanone
CID 2979752
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-nitrobenzonitrile
CID 23119875
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
3,4-dihydro-2H-quinolin-1-yl-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitrophenyl]methanone
CID 7390314
3,4-dihydro-2H-quinolin-1-yl-[5-(3-phenylpropylamino)-3-pyridinyl]methanone
CID 109239100
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate
CID 7650082
methyl 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-[(2-nitrobenzoyl)amino]benzoate
CID 23120363
4-tert-butyl-2-nitro-N-(2-phenylethyl)aniline
CID 159365947
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845
[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 171678806
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone
CID 52706130

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone (CID 2978774) is 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone is O=C(c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone?
The InChIKey is WPIQWSWMQDUVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-24(26-16-6-10-19-9-4-5-11-22(19)26)20-12-13-21(23(17-20)27(29)30)25-15-14-18-7-2-1-3-8-18/h1-5,7-9,11-13,17,25H,6,10,14-16H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone has a molecular weight of 401.47 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(2-phenylethylamino)phenyl]methanone is sourced from PubChem (CID 2978774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).