5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline

C16H17N3O2 — CID 106751397

IUPAC5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline
SMILESCc1ccc2c(c1)CCCN2c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C16H17N3O2/c1-11-4-6-15-12(9-11)3-2-8-18(15)13-5-7-16(19(20)21)14(17)10-13/h4-7,9-10H,2-3,8,17H2,1H3
InChIKeyBEHNIXYOYUHBOT-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.57
Rot. Bonds2

About 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline

5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline (PubChem CID 106751397) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline.

Molecular Properties

Compound Name5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline
PubChem CID106751397
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline
SMILESCc1ccc2c(c1)CCCN2c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C16H17N3O2/c1-11-4-6-15-12(9-11)3-2-8-18(15)13-5-7-16(19(20)21)14(17)10-13/h4-7,9-10H,2-3,8,17H2,1H3
InChIKeyBEHNIXYOYUHBOT-UHFFFAOYSA-N
XLogP3.57
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
CID 106750204
6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline
CID 21297656
1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine
CID 66635772
2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63784065
6-methyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)-3,4-dihydro-2H-quinoline
CID 81217990
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
(1S)-1-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 63370631
2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 115367867
1-(3-iodo-4-nitrophenyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 106494555
2-nitro-5-piperazin-4-ium-1-ylaniline
CID 7059955
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115468460
4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512094

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline?
The IUPAC name of 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline (CID 106751397) is 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline.
What is the SMILES notation for 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline?
The canonical SMILES for 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline is Cc1ccc2c(c1)CCCN2c1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline?
The InChIKey is BEHNIXYOYUHBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-4-6-15-12(9-11)3-2-8-18(15)13-5-7-16(19(20)21)14(17)10-13/h4-7,9-10H,2-3,8,17H2,1H3.
What are the key properties of 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline?
5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline has a molecular weight of 283.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline is sourced from PubChem (CID 106751397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).