5-bromo-2-(quinolin-3-ylamino)benzonitrile

C16H10BrN3 — CID 114890644

IUPAC5-bromo-2-(quinolin-3-ylamino)benzonitrile
SMILESN#Cc1cc(Br)ccc1Nc1cnc2ccccc2c1
InChIInChI=1S/C16H10BrN3/c17-13-5-6-16(12(7-13)9-18)20-14-8-11-3-1-2-4-15(11)19-10-14/h1-8,10,20H
InChIKeyPRKCQPZDKBFIOI-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.61
Rot. Bonds2

About 5-bromo-2-(quinolin-3-ylamino)benzonitrile

5-bromo-2-(quinolin-3-ylamino)benzonitrile (PubChem CID 114890644) has the molecular formula C16H10BrN3 and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-2-(quinolin-3-ylamino)benzonitrile.

Molecular Properties

Compound Name5-bromo-2-(quinolin-3-ylamino)benzonitrile
PubChem CID114890644
Molecular FormulaC16H10BrN3
Molecular Weight324.18 g/mol
Exact Mass323.01
IUPAC Name5-bromo-2-(quinolin-3-ylamino)benzonitrile
SMILESN#Cc1cc(Br)ccc1Nc1cnc2ccccc2c1
InChIInChI=1S/C16H10BrN3/c17-13-5-6-16(12(7-13)9-18)20-14-8-11-3-1-2-4-15(11)19-10-14/h1-8,10,20H
InChIKeyPRKCQPZDKBFIOI-UHFFFAOYSA-N
XLogP4.61
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-pyridinyl)quinolin-3-amine
CID 113452158
5-(4-bromo-2-cyanoanilino)-2-fluorobenzonitrile
CID 114890634
2-(quinolin-3-ylamino)pyridine-4-carbonitrile
CID 62783439
6-(quinolin-3-ylamino)pyridine-2-carbonitrile
CID 64595711
5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
2-[(quinolin-3-ylamino)methyl]benzonitrile
CID 104694112
2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile
CID 107544362
5-bromo-2-[3-(dimethylamino)anilino]benzonitrile
CID 114890796
2-amino-5-(4-bromo-2-cyanoanilino)benzonitrile
CID 82702495
5-bromo-2-(3,4-dimethylanilino)benzonitrile
CID 114890407
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 116796810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(quinolin-3-ylamino)benzonitrile?
The IUPAC name of 5-bromo-2-(quinolin-3-ylamino)benzonitrile (CID 114890644) is 5-bromo-2-(quinolin-3-ylamino)benzonitrile.
What is the SMILES notation for 5-bromo-2-(quinolin-3-ylamino)benzonitrile?
The canonical SMILES for 5-bromo-2-(quinolin-3-ylamino)benzonitrile is N#Cc1cc(Br)ccc1Nc1cnc2ccccc2c1.
What is the InChIKey of 5-bromo-2-(quinolin-3-ylamino)benzonitrile?
The InChIKey is PRKCQPZDKBFIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3/c17-13-5-6-16(12(7-13)9-18)20-14-8-11-3-1-2-4-15(11)19-10-14/h1-8,10,20H.
What are the key properties of 5-bromo-2-(quinolin-3-ylamino)benzonitrile?
5-bromo-2-(quinolin-3-ylamino)benzonitrile has a molecular weight of 324.18 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(quinolin-3-ylamino)benzonitrile is sourced from PubChem (CID 114890644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).