7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine

C17H14ClN3O2 — CID 43860082

IUPAC7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1Nc1ccnc2c(C)c(Cl)ccc12
InChIInChI=1S/C17H14ClN3O2/c1-10-9-12(21(22)23)3-6-15(10)20-16-7-8-19-17-11(2)14(18)5-4-13(16)17/h3-9H,1-2H3,(H,19,20)
InChIKeyPPGDOKNKDMDKDG-UHFFFAOYSA-N
MW327.77 g/mol
LogP5.16
Rot. Bonds3

About 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine

7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine (PubChem CID 43860082) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
PubChem CID43860082
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1Nc1ccnc2c(C)c(Cl)ccc12
InChIInChI=1S/C17H14ClN3O2/c1-10-9-12(21(22)23)3-6-15(10)20-16-7-8-19-17-11(2)14(18)5-4-13(16)17/h3-9H,1-2H3,(H,19,20)
InChIKeyPPGDOKNKDMDKDG-UHFFFAOYSA-N
XLogP5.16
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.77
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
CID 43832735
8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine
CID 43832587
7-chloro-N-(4-chlorophenyl)-8-methylquinolin-4-amine
CID 43860092
N-chloro-2-methyl-4-nitroaniline
CID 134879883
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline
CID 2838871
7-chloro-N-(2-chloro-4-nitrophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 21129901
4-chloro-8-methyl-7-nitroquinoline
CID 10242674
4-nitro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoyl chloride
CID 20520126
2-(2,4-dimethylanilino)-5-nitrobenzonitrile
CID 9187363
4-(2-methyl-4-nitroanilino)benzoic acid
CID 43358878
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine?
The IUPAC name of 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine (CID 43860082) is 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine is Cc1cc([N+](=O)[O-])ccc1Nc1ccnc2c(C)c(Cl)ccc12.
What is the InChIKey of 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine?
The InChIKey is PPGDOKNKDMDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-10-9-12(21(22)23)3-6-15(10)20-16-7-8-19-17-11(2)14(18)5-4-13(16)17/h3-9H,1-2H3,(H,19,20).
What are the key properties of 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine?
7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine has a molecular weight of 327.77 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine is sourced from PubChem (CID 43860082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).