6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine

C15H14ClN5O2 — CID 142792758

IUPAC6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine
SMILESNC1=C([N+](=O)[O-])C(N)(Cc2ccc3ncccc3c2)NC(Cl)=C1
InChIInChI=1S/C15H14ClN5O2/c16-13-7-11(17)14(21(22)23)15(18,20-13)8-9-3-4-12-10(6-9)2-1-5-19-12/h1-7,20H,8,17-18H2
InChIKeyBLDQIZNLZGNWRD-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.56
Rot. Bonds3

About 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine

6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine (PubChem CID 142792758) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine
PubChem CID142792758
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine
SMILESNC1=C([N+](=O)[O-])C(N)(Cc2ccc3ncccc3c2)NC(Cl)=C1
InChIInChI=1S/C15H14ClN5O2/c16-13-7-11(17)14(21(22)23)15(18,20-13)8-9-3-4-12-10(6-9)2-1-5-19-12/h1-7,20H,8,17-18H2
InChIKeyBLDQIZNLZGNWRD-UHFFFAOYSA-N
XLogP1.56
TPSA120.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine
CID 142789805
6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine
CID 86671447
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
CID 79425635
[1-(quinolin-6-ylmethyl)cyclopropyl]methanamine
CID 116997369
3-chloro-2-(quinolin-6-ylmethoxy)aniline
CID 107715957
6-(2-chloroethyl)quinoline
CID 53404433
5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one
CID 104687440
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
6-[(6-chloropyridazin-4-yl)oxymethyl]quinoline
CID 171090319
5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
CID 142789806
6-(2-bromoethyl)quinoline
CID 68811984
quinoline-6-sulfonamide
CID 23273907

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine?
The IUPAC name of 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine (CID 142792758) is 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine is NC1=C([N+](=O)[O-])C(N)(Cc2ccc3ncccc3c2)NC(Cl)=C1.
What is the InChIKey of 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine?
The InChIKey is BLDQIZNLZGNWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c16-13-7-11(17)14(21(22)23)15(18,20-13)8-9-3-4-12-10(6-9)2-1-5-19-12/h1-7,20H,8,17-18H2.
What are the key properties of 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine?
6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine has a molecular weight of 331.76 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine is sourced from PubChem (CID 142792758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).