2-azido-4-morpholin-4-ylquinoline-3-carbonitrile

C14H12N6O — CID 10612750

IUPAC2-azido-4-morpholin-4-ylquinoline-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])nc2ccccc2c1N1CCOCC1
InChIInChI=1S/C14H12N6O/c15-9-11-13(20-5-7-21-8-6-20)10-3-1-2-4-12(10)17-14(11)18-19-16/h1-4H,5-8H2
InChIKeySYSNZLLQIGXIQG-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.88
Rot. Bonds2

About 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile

2-azido-4-morpholin-4-ylquinoline-3-carbonitrile (PubChem CID 10612750) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-azido-4-morpholin-4-ylquinoline-3-carbonitrile
PubChem CID10612750
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name2-azido-4-morpholin-4-ylquinoline-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])nc2ccccc2c1N1CCOCC1
InChIInChI=1S/C14H12N6O/c15-9-11-13(20-5-7-21-8-6-20)10-3-1-2-4-12(10)17-14(11)18-19-16/h1-4H,5-8H2
InChIKeySYSNZLLQIGXIQG-UHFFFAOYSA-N
XLogP2.88
TPSA97.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile?
The IUPAC name of 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile (CID 10612750) is 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile.
What is the SMILES notation for 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile?
The canonical SMILES for 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile is N#Cc1c(N=[N+]=[N-])nc2ccccc2c1N1CCOCC1.
What is the InChIKey of 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile?
The InChIKey is SYSNZLLQIGXIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-9-11-13(20-5-7-21-8-6-20)10-3-1-2-4-12(10)17-14(11)18-19-16/h1-4H,5-8H2.
What are the key properties of 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile?
2-azido-4-morpholin-4-ylquinoline-3-carbonitrile has a molecular weight of 280.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-morpholin-4-ylquinoline-3-carbonitrile is sourced from PubChem (CID 10612750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).