6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline

C16H16N2O2 — CID 21297656

IUPAC6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O2/c1-12-8-9-14-13(11-12)5-4-10-17(14)15-6-2-3-7-16(15)18(19)20/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyQEXUAPRDXLQDNP-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.99
Rot. Bonds2

About 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline

6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline (PubChem CID 21297656) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline
PubChem CID21297656
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O2/c1-12-8-9-14-13(11-12)5-4-10-17(14)15-6-2-3-7-16(15)18(19)20/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyQEXUAPRDXLQDNP-UHFFFAOYSA-N
XLogP3.99
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.99
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

5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline
CID 106751397
4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512094
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
(4-bromo-3-nitrophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26083841
N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methyl]ethanamine
CID 43281288
4-(2,3-dihydroindol-1-yl)-3-nitroaniline
CID 82299179
2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512095
2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione
CID 31287635
5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 43312932
1-[3-chloro-2-(chloromethyl)phenyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 28946471
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115468460
5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
CID 61305136

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline (CID 21297656) is 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2c1ccccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline?
The InChIKey is QEXUAPRDXLQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-8-9-14-13(11-12)5-4-10-17(14)15-6-2-3-7-16(15)18(19)20/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline?
6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline has a molecular weight of 268.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 21297656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).