(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline

C10H12N2O2 — CID 129394828

IUPAC(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
SMILESC[C@H]1CCc2ccc([N+](=O)[O-])cc2N1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8-4-5-9(12(13)14)6-10(8)11-7/h4-7,11H,2-3H2,1H3/t7-/m0/s1
InChIKeyJULFZZWJXDQZAH-ZETCQYMHSA-N
MW192.22 g/mol
LogP2.34
Rot. Bonds1

About (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline

(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline (PubChem CID 129394828) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
PubChem CID129394828
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
SMILESC[C@H]1CCc2ccc([N+](=O)[O-])cc2N1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8-4-5-9(12(13)14)6-10(8)11-7/h4-7,11H,2-3H2,1H3/t7-/m0/s1
InChIKeyJULFZZWJXDQZAH-ZETCQYMHSA-N
XLogP2.34
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 ≤ 52.34
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

3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 10242083
(2R)-2-methyl-7-nitro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 7060373
(3S)-3-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-one
CID 10798306
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 66694887
(4S)-1,4-dimethyl-7-nitro-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 7070787
8-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 4093214
(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 55278481
N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 54164704
2-butyl-6-nitro-2,3-dihydro-1H-indole
CID 151493892
methyl (2S)-6-nitro-2,3-dihydro-1H-indole-2-carboxylate
CID 59440122
7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23298420
N-(2-methyl-6-nitro-1,2,3,4-tetrahydroquinolin-4-yl)formamide
CID 3474586

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline (CID 129394828) is (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline is C[C@H]1CCc2ccc([N+](=O)[O-])cc2N1.
What is the InChIKey of (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline?
The InChIKey is JULFZZWJXDQZAH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-3-8-4-5-9(12(13)14)6-10(8)11-7/h4-7,11H,2-3H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline?
(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline has a molecular weight of 192.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 129394828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).