2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine

C15H12ClN3 — CID 43148682

IUPAC2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc3ncccc23)c(Cl)c1
InChIInChI=1S/C15H12ClN3/c16-12-9-10(17)6-7-15(12)19-14-5-1-4-13-11(14)3-2-8-18-13/h1-9,19H,17H2
InChIKeyBBRALTKBGUAOJG-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.21
Rot. Bonds2

About 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine

2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine (PubChem CID 43148682) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
PubChem CID43148682
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc3ncccc23)c(Cl)c1
InChIInChI=1S/C15H12ClN3/c16-12-9-10(17)6-7-15(12)19-14-5-1-4-13-11(14)3-2-8-18-13/h1-9,19H,17H2
InChIKeyBBRALTKBGUAOJG-UHFFFAOYSA-N
XLogP4.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(quinolin-5-ylamino)benzamide
CID 61306152
4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
CID 61340093
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22545033
5-chloro-2-(quinolin-5-ylamino)benzonitrile
CID 62493218
3-amino-4-(quinolin-5-ylamino)benzamide
CID 43448403
2,6-dichloro-N-quinolin-5-ylquinolin-4-amine
CID 138392376
N-pyridin-2-ylquinolin-5-amine
CID 163837098
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152879
6-amino-5-chloro-N-quinolin-5-ylpyridine-3-carboxamide
CID 62151637

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine (CID 43148682) is 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine is Nc1ccc(Nc2cccc3ncccc23)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine?
The InChIKey is BBRALTKBGUAOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-12-9-10(17)6-7-15(12)19-14-5-1-4-13-11(14)3-2-8-18-13/h1-9,19H,17H2.
What are the key properties of 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine?
2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine has a molecular weight of 269.74 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine is sourced from PubChem (CID 43148682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).