2-amino-4-methylquinoline-3-carbonitrile

C11H9N3 — CID 603064

IUPAC2-amino-4-methylquinoline-3-carbonitrile
SMILESCc1c(C#N)c(N)nc2ccccc12
InChIInChI=1S/C11H9N3/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3,(H2,13,14)
InChIKeyDXXUIIMDJKUSES-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.00
Rot. Bonds

About 2-amino-4-methylquinoline-3-carbonitrile

2-amino-4-methylquinoline-3-carbonitrile (PubChem CID 603064) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-4-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methylquinoline-3-carbonitrile
PubChem CID603064
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-amino-4-methylquinoline-3-carbonitrile
SMILESCc1c(C#N)c(N)nc2ccccc12
InChIInChI=1S/C11H9N3/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3,(H2,13,14)
InChIKeyDXXUIIMDJKUSES-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-methylquinoline-3-carbonitrile (CID 603064) is 2-amino-4-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-methylquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-methylquinoline-3-carbonitrile is Cc1c(C#N)c(N)nc2ccccc12.
What is the InChIKey of 2-amino-4-methylquinoline-3-carbonitrile?
The InChIKey is DXXUIIMDJKUSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3,(H2,13,14).
What are the key properties of 2-amino-4-methylquinoline-3-carbonitrile?
2-amino-4-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 2-amino-4-methylquinoline-3-carbonitrile is sourced from PubChem (CID 603064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).