4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine

C15H12ClN3 — CID 61340093

IUPAC4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
SMILESNc1ccc(Cl)c(Nc2ccnc3ccccc23)c1
InChIInChI=1S/C15H12ClN3/c16-12-6-5-10(17)9-15(12)19-14-7-8-18-13-4-2-1-3-11(13)14/h1-9H,17H2,(H,18,19)
InChIKeySOINCQWMSFPQSH-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.21
Rot. Bonds2

About 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine

4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine (PubChem CID 61340093) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
PubChem CID61340093
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
SMILESNc1ccc(Cl)c(Nc2ccnc3ccccc23)c1
InChIInChI=1S/C15H12ClN3/c16-12-6-5-10(17)9-15(12)19-14-7-8-18-13-4-2-1-3-11(13)14/h1-9H,17H2,(H,18,19)
InChIKeySOINCQWMSFPQSH-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

2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
CID 43148682
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
4-chloro-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 61013625
4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine
CID 61013980
3-chloro-4-quinolin-4-yloxyaniline
CID 61341550
4-N-pyridin-4-ylquinoline-4,6-diamine
CID 91040633
N-[4-(chloromethyl)phenyl]quinolin-4-amine
CID 65029423
4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine
CID 107633881
1-(5-amino-2-chloroanilino)isoquinolin-7-ol
CID 106540390
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338
4-N-(2-ethoxyphenyl)quinoline-4,7-diamine
CID 103000246
5-amino-2-(quinolin-5-ylamino)benzamide
CID 61306152

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine?
The IUPAC name of 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine (CID 61340093) is 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine?
The canonical SMILES for 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine is Nc1ccc(Cl)c(Nc2ccnc3ccccc23)c1.
What is the InChIKey of 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine?
The InChIKey is SOINCQWMSFPQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-12-6-5-10(17)9-15(12)19-14-7-8-18-13-4-2-1-3-11(13)14/h1-9H,17H2,(H,18,19).
What are the key properties of 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine?
4-chloro-3-N-quinolin-4-ylbenzene-1,3-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 4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine is sourced from PubChem (CID 61340093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).