2-(3-nitro-2-phenylpropyl)quinoline

C18H16N2O2 — CID 102447454

IUPAC2-(3-nitro-2-phenylpropyl)quinoline
SMILESO=[N+]([O-])CC(Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-20(22)13-16(14-6-2-1-3-7-14)12-17-11-10-15-8-4-5-9-18(15)19-17/h1-11,16H,12-13H2
InChIKeySHMHLONJAMIWAH-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.84
Rot. Bonds5

About 2-(3-nitro-2-phenylpropyl)quinoline

2-(3-nitro-2-phenylpropyl)quinoline (PubChem CID 102447454) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3-nitro-2-phenylpropyl)quinoline.

Molecular Properties

Compound Name2-(3-nitro-2-phenylpropyl)quinoline
PubChem CID102447454
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(3-nitro-2-phenylpropyl)quinoline
SMILESO=[N+]([O-])CC(Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-20(22)13-16(14-6-2-1-3-7-14)12-17-11-10-15-8-4-5-9-18(15)19-17/h1-11,16H,12-13H2
InChIKeySHMHLONJAMIWAH-UHFFFAOYSA-N
XLogP3.84
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[2-(4-chlorophenyl)-3-nitropropyl]quinoline
CID 102447455
2-[2-(3-nitrophenyl)-3-quinolin-2-ylpropyl]quinoline
CID 102496265
2-[(2R)-4-methyl-2-phenylpentyl]quinoline
CID 153438470
2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
CID 132563536
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one
CID 52937193
(3R)-4-nitro-3-phenylbutanoic acid
CID 26339937
4-nitro-3-phenylbutanal
CID 75046041
2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile
CID 102429649
3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one
CID 122399303
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-2-phenylpropyl)quinoline?
The IUPAC name of 2-(3-nitro-2-phenylpropyl)quinoline (CID 102447454) is 2-(3-nitro-2-phenylpropyl)quinoline.
What is the SMILES notation for 2-(3-nitro-2-phenylpropyl)quinoline?
The canonical SMILES for 2-(3-nitro-2-phenylpropyl)quinoline is O=[N+]([O-])CC(Cc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of 2-(3-nitro-2-phenylpropyl)quinoline?
The InChIKey is SHMHLONJAMIWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-20(22)13-16(14-6-2-1-3-7-14)12-17-11-10-15-8-4-5-9-18(15)19-17/h1-11,16H,12-13H2.
What are the key properties of 2-(3-nitro-2-phenylpropyl)quinoline?
2-(3-nitro-2-phenylpropyl)quinoline has a molecular weight of 292.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-2-phenylpropyl)quinoline is sourced from PubChem (CID 102447454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).