4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine

C14H11ClN4 — CID 156871700

IUPAC4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccnc3cnc(Cl)cc23)cc1
InChIInChI=1S/C14H11ClN4/c15-14-7-11-12(5-6-17-13(11)8-18-14)19-10-3-1-9(16)2-4-10/h1-8H,16H2,(H,17,19)
InChIKeySDALZLXEVNTHPO-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.61
Rot. Bonds2

About 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine

4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine (PubChem CID 156871700) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine
PubChem CID156871700
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccnc3cnc(Cl)cc23)cc1
InChIInChI=1S/C14H11ClN4/c15-14-7-11-12(5-6-17-13(11)8-18-14)19-10-3-1-9(16)2-4-10/h1-8H,16H2,(H,17,19)
InChIKeySDALZLXEVNTHPO-UHFFFAOYSA-N
XLogP3.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Amino-7-chloroquinoline
CID 94711
Ro 41-3118
CID 408190
4-Piperazin-1-yl-quinoline
CID 1534386
2-Chloro-1,10-phenanthroline
CID 355193
N-3-Pyridinyl-9-acridinamine
CID 53313
7-Chloro-4-(piperazin-1-yl)quinoline
CID 738389
Dm-1157
CID 25208163
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
CID 4791782
4-amino-7-chloroquinoline (ACQ)-based compound, 6
CID 221208
N-(7-Chloroquinolin-4-yl)propane-1,3-diamine
CID 245076
7-Chloro-4-(4-methyl-1-piperazinyl)quinoline
CID 7275193

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine (CID 156871700) is 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine is Nc1ccc(Nc2ccnc3cnc(Cl)cc23)cc1.
What is the InChIKey of 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine?
The InChIKey is SDALZLXEVNTHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-14-7-11-12(5-6-17-13(11)8-18-14)19-10-3-1-9(16)2-4-10/h1-8H,16H2,(H,17,19).
What are the key properties of 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine?
4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine has a molecular weight of 270.72 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 156871700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).