6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine

C16H13ClN4O2 — CID 142793516

IUPAC6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine
SMILESCC(c1ccc2ncccc2c1)c1cc(Cl)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C16H13ClN4O2/c1-9(10-4-5-13-11(7-10)3-2-6-19-13)12-8-14(17)20-16(18)15(12)21(22)23/h2-9H,1H3,(H2,18,20)
InChIKeyGHPLLXFMNIRNDV-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.93
Rot. Bonds3

About 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine

6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine (PubChem CID 142793516) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine
PubChem CID142793516
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine
SMILESCC(c1ccc2ncccc2c1)c1cc(Cl)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C16H13ClN4O2/c1-9(10-4-5-13-11(7-10)3-2-6-19-13)12-8-14(17)20-16(18)15(12)21(22)23/h2-9H,1H3,(H2,18,20)
InChIKeyGHPLLXFMNIRNDV-UHFFFAOYSA-N
XLogP3.93
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

8-(3-Nitrophenyl)-1,7-naphthyridin-6-amine
CID 10611778
5-[(4-Methyl-8-nitroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323050
10-Nitropyrido[3,4-g]quinolin-2-amine
CID 168281803
5-Chloro-1-[(6-methylquinolin-8-yl)methyl]pyridin-1-ium-2-amine bromide
CID 16196241
8-nitro-N-2-pyridinyl-2-quinolinamine
CID 23792143
3-[6-Amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile
CID 154604502
7-chloro-N-[2-[4-(3-nitro-2-pyridyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52942606
7-chloro-N-[3-[4-(3-nitro-2-pyridyl)piperazin-1-yl]propyl]quinolin-4-amine
CID 52945055
N-[(3-amino-6-chloropyrazin-2-yl)methyl]-6-nitroquinolin-2-amine
CID 122194078
N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine
CID 122194079
3-Pyridinecarbonitrile,2-dihydro-2-imino-4-(4-nitrophenyl)-
CID 396048
6-Tert-butyl-4-chloro-3-nitroquinoline
CID 102614105

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine (CID 142793516) is 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine is CC(c1ccc2ncccc2c1)c1cc(Cl)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine?
The InChIKey is GHPLLXFMNIRNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-9(10-4-5-13-11(7-10)3-2-6-19-13)12-8-14(17)20-16(18)15(12)21(22)23/h2-9H,1H3,(H2,18,20).
What are the key properties of 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine?
6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine has a molecular weight of 328.76 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-4-(1-quinolin-6-ylethyl)pyridin-2-amine is sourced from PubChem (CID 142793516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).