4-(propan-2-ylamino)quinoline-6-carbonitrile

C13H13N3 — CID 146403404

IUPAC4-(propan-2-ylamino)quinoline-6-carbonitrile
SMILESCC(C)Nc1ccnc2ccc(C#N)cc12
InChIInChI=1S/C13H13N3/c1-9(2)16-13-5-6-15-12-4-3-10(8-14)7-11(12)13/h3-7,9H,1-2H3,(H,15,16)
InChIKeyUWELGFZEKSLZJX-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.93
Rot. Bonds2

About 4-(propan-2-ylamino)quinoline-6-carbonitrile

4-(propan-2-ylamino)quinoline-6-carbonitrile (PubChem CID 146403404) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-(propan-2-ylamino)quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(propan-2-ylamino)quinoline-6-carbonitrile
PubChem CID146403404
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name4-(propan-2-ylamino)quinoline-6-carbonitrile
SMILESCC(C)Nc1ccnc2ccc(C#N)cc12
InChIInChI=1S/C13H13N3/c1-9(2)16-13-5-6-15-12-4-3-10(8-14)7-11(12)13/h3-7,9H,1-2H3,(H,15,16)
InChIKeyUWELGFZEKSLZJX-UHFFFAOYSA-N
XLogP2.93
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)quinoline-6-carbonitrile?
The IUPAC name of 4-(propan-2-ylamino)quinoline-6-carbonitrile (CID 146403404) is 4-(propan-2-ylamino)quinoline-6-carbonitrile.
What is the SMILES notation for 4-(propan-2-ylamino)quinoline-6-carbonitrile?
The canonical SMILES for 4-(propan-2-ylamino)quinoline-6-carbonitrile is CC(C)Nc1ccnc2ccc(C#N)cc12.
What is the InChIKey of 4-(propan-2-ylamino)quinoline-6-carbonitrile?
The InChIKey is UWELGFZEKSLZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-9(2)16-13-5-6-15-12-4-3-10(8-14)7-11(12)13/h3-7,9H,1-2H3,(H,15,16).
What are the key properties of 4-(propan-2-ylamino)quinoline-6-carbonitrile?
4-(propan-2-ylamino)quinoline-6-carbonitrile has a molecular weight of 211.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)quinoline-6-carbonitrile is sourced from PubChem (CID 146403404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).