8-bromo-4-(ethylamino)quinoline-3-carbonitrile

C12H10BrN3 — CID 62189745

IUPAC8-bromo-4-(ethylamino)quinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(Br)cccc12
InChIInChI=1S/C12H10BrN3/c1-2-15-11-8(6-14)7-16-12-9(11)4-3-5-10(12)13/h3-5,7H,2H2,1H3,(H,15,16)
InChIKeyCHDLCMVQMQAJBG-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.30
Rot. Bonds2

About 8-bromo-4-(ethylamino)quinoline-3-carbonitrile

8-bromo-4-(ethylamino)quinoline-3-carbonitrile (PubChem CID 62189745) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 8-bromo-4-(ethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-bromo-4-(ethylamino)quinoline-3-carbonitrile
PubChem CID62189745
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name8-bromo-4-(ethylamino)quinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(Br)cccc12
InChIInChI=1S/C12H10BrN3/c1-2-15-11-8(6-14)7-16-12-9(11)4-3-5-10(12)13/h3-5,7H,2H2,1H3,(H,15,16)
InChIKeyCHDLCMVQMQAJBG-UHFFFAOYSA-N
XLogP3.30
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)benzo[h]quinoline-3-carbonitrile
CID 62188672
6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62188170
4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile
CID 62189546
5-bromo-8-chloro-4-(ethylamino)quinoline-3-carbonitrile
CID 62909428
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
CID 62188504
4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
CID 167702626
5,6,8-trichloro-4-(ethylamino)quinoline-3-carbonitrile
CID 55045004
8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 82758267
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
4-(propylamino)quinoline-3-carbonitrile
CID 43668866

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-(ethylamino)quinoline-3-carbonitrile?
The IUPAC name of 8-bromo-4-(ethylamino)quinoline-3-carbonitrile (CID 62189745) is 8-bromo-4-(ethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 8-bromo-4-(ethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 8-bromo-4-(ethylamino)quinoline-3-carbonitrile is CCNc1c(C#N)cnc2c(Br)cccc12.
What is the InChIKey of 8-bromo-4-(ethylamino)quinoline-3-carbonitrile?
The InChIKey is CHDLCMVQMQAJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c1-2-15-11-8(6-14)7-16-12-9(11)4-3-5-10(12)13/h3-5,7H,2H2,1H3,(H,15,16).
What are the key properties of 8-bromo-4-(ethylamino)quinoline-3-carbonitrile?
8-bromo-4-(ethylamino)quinoline-3-carbonitrile has a molecular weight of 276.14 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-(ethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 62189745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).