8-chloro-N,3-diethyl-6-nitroquinolin-2-amine

C13H14ClN3O2 — CID 63232474

IUPAC8-chloro-N,3-diethyl-6-nitroquinolin-2-amine
SMILESCCNc1nc2c(Cl)cc([N+](=O)[O-])cc2cc1CC
InChIInChI=1S/C13H14ClN3O2/c1-3-8-5-9-6-10(17(18)19)7-11(14)12(9)16-13(8)15-4-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyINDBAANROMFUCF-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.79
Rot. Bonds4

About 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine

8-chloro-N,3-diethyl-6-nitroquinolin-2-amine (PubChem CID 63232474) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N,3-diethyl-6-nitroquinolin-2-amine
PubChem CID63232474
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name8-chloro-N,3-diethyl-6-nitroquinolin-2-amine
SMILESCCNc1nc2c(Cl)cc([N+](=O)[O-])cc2cc1CC
InChIInChI=1S/C13H14ClN3O2/c1-3-8-5-9-6-10(17(18)19)7-11(14)12(9)16-13(8)15-4-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyINDBAANROMFUCF-UHFFFAOYSA-N
XLogP3.79
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.79
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-3-ethyl-6-nitro-N-propylquinolin-2-amine
CID 63525434
6-bromo-8-chloro-N,3-diethylquinolin-2-amine
CID 63525765
8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine
CID 63232514
2,8-dichloro-3-(chloromethyl)-6-nitroquinoline
CID 63232149
5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine
CID 104728368
2-chloro-N-ethyl-5-nitroaniline
CID 43718971
6-bromo-N,8-diethyl-3-propylquinolin-2-amine
CID 81289355
3-tert-butyl-2-chloro-8-methyl-6-nitroquinoline
CID 63382509
2,6-dichloro-N-(2-ethylbutyl)-4-nitroaniline
CID 106891704
6-N-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
5-[(2,6-dichloro-4-nitrophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80602257
3-N-(3,5-dichlorophenyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80768290

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine?
The IUPAC name of 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine (CID 63232474) is 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine.
What is the SMILES notation for 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine?
The canonical SMILES for 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine is CCNc1nc2c(Cl)cc([N+](=O)[O-])cc2cc1CC.
What is the InChIKey of 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine?
The InChIKey is INDBAANROMFUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-8-5-9-6-10(17(18)19)7-11(14)12(9)16-13(8)15-4-2/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine?
8-chloro-N,3-diethyl-6-nitroquinolin-2-amine has a molecular weight of 279.73 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,3-diethyl-6-nitroquinolin-2-amine is sourced from PubChem (CID 63232474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).