7-bromo-4-(diethylamino)quinoline-3-carbonitrile

C14H14BrN3 — CID 50877287

IUPAC7-bromo-4-(diethylamino)quinoline-3-carbonitrile
SMILESCCN(CC)c1c(C#N)cnc2cc(Br)ccc12
InChIInChI=1S/C14H14BrN3/c1-3-18(4-2)14-10(8-16)9-17-13-7-11(15)5-6-12(13)14/h5-7,9H,3-4H2,1-2H3
InChIKeyKHVZCKPENUPAAT-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.72
Rot. Bonds3

About 7-bromo-4-(diethylamino)quinoline-3-carbonitrile

7-bromo-4-(diethylamino)quinoline-3-carbonitrile (PubChem CID 50877287) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 7-bromo-4-(diethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-bromo-4-(diethylamino)quinoline-3-carbonitrile
PubChem CID50877287
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name7-bromo-4-(diethylamino)quinoline-3-carbonitrile
SMILESCCN(CC)c1c(C#N)cnc2cc(Br)ccc12
InChIInChI=1S/C14H14BrN3/c1-3-18(4-2)14-10(8-16)9-17-13-7-11(15)5-6-12(13)14/h5-7,9H,3-4H2,1-2H3
InChIKeyKHVZCKPENUPAAT-UHFFFAOYSA-N
XLogP3.72
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyanoquinolin-4-yl)-ethylamino]acetic acid
CID 55028864
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile
CID 79665670
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
4-chloro-6-(diethylamino)quinoline-3-carbonitrile
CID 63180357
7-bromofuro[2,3-c]quinoline-2-carbonitrile
CID 172599368
7-bromo-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
CID 23437819
7-bromo-1-methoxyisoquinoline-4-carbonitrile
CID 84710963
4-bromo-2-[ethyl(2-methylpropyl)amino]benzonitrile
CID 114901426
4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile
CID 66184340
ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
CID 50877246
4-(4-bromophenyl)-6,7-dimethoxyquinoline-3-carbonitrile
CID 174463121
7-bromo-4-(4-phenoxyanilino)quinoline-3-carbonitrile
CID 23437881

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(diethylamino)quinoline-3-carbonitrile?
The IUPAC name of 7-bromo-4-(diethylamino)quinoline-3-carbonitrile (CID 50877287) is 7-bromo-4-(diethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 7-bromo-4-(diethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 7-bromo-4-(diethylamino)quinoline-3-carbonitrile is CCN(CC)c1c(C#N)cnc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-4-(diethylamino)quinoline-3-carbonitrile?
The InChIKey is KHVZCKPENUPAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-3-18(4-2)14-10(8-16)9-17-13-7-11(15)5-6-12(13)14/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 7-bromo-4-(diethylamino)quinoline-3-carbonitrile?
7-bromo-4-(diethylamino)quinoline-3-carbonitrile has a molecular weight of 304.19 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(diethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 50877287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).