6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine

C15H12ClN5O2 — CID 86671447

IUPAC6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCc2ccc3ncccc3c2)c1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN5O2/c16-13-7-11(17)14(21(22)23)15(20-13)19-8-9-3-4-12-10(6-9)2-1-5-18-12/h1-7H,8H2,(H3,17,19,20)
InChIKeyGDTZXRYCTXCUGB-UHFFFAOYSA-N
MW329.75 g/mol
LogP3.39
Rot. Bonds4

About 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine

6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine (PubChem CID 86671447) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine
PubChem CID86671447
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCc2ccc3ncccc3c2)c1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN5O2/c16-13-7-11(17)14(21(22)23)15(20-13)19-8-9-3-4-12-10(6-9)2-1-5-18-12/h1-7H,8H2,(H3,17,19,20)
InChIKeyGDTZXRYCTXCUGB-UHFFFAOYSA-N
XLogP3.39
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
tert-butyl N-[6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-4-pyridinyl]carbamate
CID 174810771
6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide
CID 171090525
methyl 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxylate
CID 171090681
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372035
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
N-(1,3-benzothiazol-6-ylmethyl)-6-chloro-3-nitropyridin-2-amine
CID 87228724
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine
CID 142792758
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine (CID 86671447) is 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine is Nc1cc(Cl)nc(NCc2ccc3ncccc3c2)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine?
The InChIKey is GDTZXRYCTXCUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-13-7-11(17)14(21(22)23)15(20-13)19-8-9-3-4-12-10(6-9)2-1-5-18-12/h1-7H,8H2,(H3,17,19,20).
What are the key properties of 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine?
6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine has a molecular weight of 329.75 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 86671447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).