4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline

C10H12N2O2 — CID 18367059

IUPAC4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H12N2O2/c1-7-4-5-11-10-3-2-8(12(13)14)6-9(7)10/h2-3,6-7,11H,4-5H2,1H3
InChIKeyGMDBHEJRVYEOEG-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.51
Rot. Bonds1

About 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline

4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline (PubChem CID 18367059) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
PubChem CID18367059
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H12N2O2/c1-7-4-5-11-10-3-2-8(12(13)14)6-9(7)10/h2-3,6-7,11H,4-5H2,1H3
InChIKeyGMDBHEJRVYEOEG-UHFFFAOYSA-N
XLogP2.51
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
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

N-(cyclopropylmethyl)-5-nitro-2,3-dihydro-1H-indol-3-amine;dihydrochloride
CID 76853856
2,8-dinitro-6,12-diphenyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine
CID 102254993
5-nitro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986424
N-(2-methyl-6-nitro-1,2,3,4-tetrahydroquinolin-4-yl)formamide
CID 3474586
5-methyl-3-(4-nitrophenyl)-1,3-diazepane-2,4-dione
CID 80540903
5-methyl-3-(3-nitrophenyl)-1,3-diazepane-2,4-dione
CID 80541001
3-heptyl-5-nitro-2,3-dihydro-1H-indole
CID 106986289
3-(2-methylpentan-3-yl)-5-nitro-2,3-dihydro-1H-indole
CID 106986014
5-nitro-3-octyl-2,3-dihydro-1H-indole
CID 106985809
1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 21338542
(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 59952045
(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 129394828

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline (CID 18367059) is 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline is CC1CCNc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline?
The InChIKey is GMDBHEJRVYEOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-4-5-11-10-3-2-8(12(13)14)6-9(7)10/h2-3,6-7,11H,4-5H2,1H3.
What are the key properties of 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline?
4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline has a molecular weight of 192.22 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 18367059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).