2,4-diazidoquinoline-3-carbonitrile

C10H4N8 — CID 10657437

IUPAC2,4-diazidoquinoline-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])nc2ccccc2c1N=[N+]=[N-]
InChIInChI=1S/C10H4N8/c11-5-7-9(15-17-12)6-3-1-2-4-8(6)14-10(7)16-18-13/h1-4H
InChIKeyQLJUYJPKMCZLME-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.99
Rot. Bonds2

About 2,4-diazidoquinoline-3-carbonitrile

2,4-diazidoquinoline-3-carbonitrile (PubChem CID 10657437) has the molecular formula C10H4N8 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2,4-diazidoquinoline-3-carbonitrile.

Molecular Properties

Compound Name2,4-diazidoquinoline-3-carbonitrile
PubChem CID10657437
Molecular FormulaC10H4N8
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2,4-diazidoquinoline-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])nc2ccccc2c1N=[N+]=[N-]
InChIInChI=1S/C10H4N8/c11-5-7-9(15-17-12)6-3-1-2-4-8(6)14-10(7)16-18-13/h1-4H
InChIKeyQLJUYJPKMCZLME-UHFFFAOYSA-N
XLogP3.99
TPSA134.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-4-morpholin-4-ylquinoline-3-carbonitrile
CID 10612750
2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile
CID 21233910
9-azido-N,N-dimethylacridin-3-amine
CID 154101320
2-azido-4,5-diphenylpyridine-3-carbonitrile
CID 71400013
2,3-diazido-5,6-diphenylpyrazine
CID 14641970
9-(4-azidophenyl)acridine
CID 15340007
2-azido-4,5-dichloro-6-(3-hydroxyanilino)pyridine-3-carbonitrile
CID 21233911
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82449837
4-(acridin-9-ylmethyl)benzonitrile;hydrochloride
CID 90679767
4-azido-3-nitroquinoline
CID 112704025
6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile
CID 11388552
2-azido-3-(2-chloroethyl)quinoline
CID 95994762

Frequently Asked Questions

What is the IUPAC name of 2,4-diazidoquinoline-3-carbonitrile?
The IUPAC name of 2,4-diazidoquinoline-3-carbonitrile (CID 10657437) is 2,4-diazidoquinoline-3-carbonitrile.
What is the SMILES notation for 2,4-diazidoquinoline-3-carbonitrile?
The canonical SMILES for 2,4-diazidoquinoline-3-carbonitrile is N#Cc1c(N=[N+]=[N-])nc2ccccc2c1N=[N+]=[N-].
What is the InChIKey of 2,4-diazidoquinoline-3-carbonitrile?
The InChIKey is QLJUYJPKMCZLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N8/c11-5-7-9(15-17-12)6-3-1-2-4-8(6)14-10(7)16-18-13/h1-4H.
What are the key properties of 2,4-diazidoquinoline-3-carbonitrile?
2,4-diazidoquinoline-3-carbonitrile has a molecular weight of 236.20 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazidoquinoline-3-carbonitrile is sourced from PubChem (CID 10657437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).