7-amino-8-methylquinoline-3-carbonitrile

C11H9N3 — CID 101362406

IUPAC7-amino-8-methylquinoline-3-carbonitrile
SMILESCc1c(N)ccc2cc(C#N)cnc12
InChIInChI=1S/C11H9N3/c1-7-10(13)3-2-9-4-8(5-12)6-14-11(7)9/h2-4,6H,13H2,1H3
InChIKeyYOPDHBXDAKNHBA-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.00
Rot. Bonds

About 7-amino-8-methylquinoline-3-carbonitrile

7-amino-8-methylquinoline-3-carbonitrile (PubChem CID 101362406) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 7-amino-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name7-amino-8-methylquinoline-3-carbonitrile
PubChem CID101362406
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name7-amino-8-methylquinoline-3-carbonitrile
SMILESCc1c(N)ccc2cc(C#N)cnc12
InChIInChI=1S/C11H9N3/c1-7-10(13)3-2-9-4-8(5-12)6-14-11(7)9/h2-4,6H,13H2,1H3
InChIKeyYOPDHBXDAKNHBA-UHFFFAOYSA-N
XLogP2.00
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-methylquinoline-3-carbonitrile?
The IUPAC name of 7-amino-8-methylquinoline-3-carbonitrile (CID 101362406) is 7-amino-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 7-amino-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 7-amino-8-methylquinoline-3-carbonitrile is Cc1c(N)ccc2cc(C#N)cnc12.
What is the InChIKey of 7-amino-8-methylquinoline-3-carbonitrile?
The InChIKey is YOPDHBXDAKNHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-7-10(13)3-2-9-4-8(5-12)6-14-11(7)9/h2-4,6H,13H2,1H3.
What are the key properties of 7-amino-8-methylquinoline-3-carbonitrile?
7-amino-8-methylquinoline-3-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 101362406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).