7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile

C14H15N3O — CID 3237879

IUPAC7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCOc1ccc2cc(C#N)c(NC(C)C)nc2c1
InChIInChI=1S/C14H15N3O/c1-9(2)16-14-11(8-15)6-10-4-5-12(18-3)7-13(10)17-14/h4-7,9H,1-3H3,(H,16,17)
InChIKeyRQZBJQXOIQSDLD-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.94
Rot. Bonds3

About 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile

7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile (PubChem CID 3237879) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile
PubChem CID3237879
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCOc1ccc2cc(C#N)c(NC(C)C)nc2c1
InChIInChI=1S/C14H15N3O/c1-9(2)16-14-11(8-15)6-10-4-5-12(18-3)7-13(10)17-14/h4-7,9H,1-3H3,(H,16,17)
InChIKeyRQZBJQXOIQSDLD-UHFFFAOYSA-N
XLogP2.94
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile (CID 3237879) is 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile is COc1ccc2cc(C#N)c(NC(C)C)nc2c1.
What is the InChIKey of 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile?
The InChIKey is RQZBJQXOIQSDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9(2)16-14-11(8-15)6-10-4-5-12(18-3)7-13(10)17-14/h4-7,9H,1-3H3,(H,16,17).
What are the key properties of 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile?
7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(propan-2-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 3237879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).