8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile

C14H14BrN3 — CID 82758267

IUPAC8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c(Br)ccc(C)c12
InChIInChI=1S/C14H14BrN3/c1-3-6-17-13-10(7-16)8-18-14-11(15)5-4-9(2)12(13)14/h4-5,8H,3,6H2,1-2H3,(H,17,18)
InChIKeyGEZWJSLSXWQTJR-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.00
Rot. Bonds3

About 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile

8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile (PubChem CID 82758267) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
PubChem CID82758267
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c(Br)ccc(C)c12
InChIInChI=1S/C14H14BrN3/c1-3-6-17-13-10(7-16)8-18-14-11(15)5-4-9(2)12(13)14/h4-5,8H,3,6H2,1-2H3,(H,17,18)
InChIKeyGEZWJSLSXWQTJR-UHFFFAOYSA-N
XLogP4.00
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile
CID 55045002
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
5-bromo-8-chloro-4-(ethylamino)quinoline-3-carbonitrile
CID 62909428
5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
CID 62188504
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
8-bromo-5-methyl-N-propylquinolin-4-amine
CID 82758771
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
8-bromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62189745
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
6-bromo-9-methyl-N-propyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473323
6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
CID 62187998

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile?
The IUPAC name of 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile (CID 82758267) is 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile?
The canonical SMILES for 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile is CCCNc1c(C#N)cnc2c(Br)ccc(C)c12.
What is the InChIKey of 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile?
The InChIKey is GEZWJSLSXWQTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-3-6-17-13-10(7-16)8-18-14-11(15)5-4-9(2)12(13)14/h4-5,8H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile?
8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile has a molecular weight of 304.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 82758267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).