7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile

C17H19N3O — CID 163275126

IUPAC7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile
SMILESCCCC1CN(c2c(C#N)cnc3cc(OC)ccc23)C1
InChIInChI=1S/C17H19N3O/c1-3-4-12-10-20(11-12)17-13(8-18)9-19-16-7-14(21-2)5-6-15(16)17/h5-7,9,12H,3-4,10-11H2,1-2H3
InChIKeyRTDYQDHEUPQTEF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds4

About 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile

7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile (PubChem CID 163275126) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile
PubChem CID163275126
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile
SMILESCCCC1CN(c2c(C#N)cnc3cc(OC)ccc23)C1
InChIInChI=1S/C17H19N3O/c1-3-4-12-10-20(11-12)17-13(8-18)9-19-16-7-14(21-2)5-6-15(16)17/h5-7,9,12H,3-4,10-11H2,1-2H3
InChIKeyRTDYQDHEUPQTEF-UHFFFAOYSA-N
XLogP3.35
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile (CID 163275126) is 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile is CCCC1CN(c2c(C#N)cnc3cc(OC)ccc23)C1.
What is the InChIKey of 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile?
The InChIKey is RTDYQDHEUPQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-4-12-10-20(11-12)17-13(8-18)9-19-16-7-14(21-2)5-6-15(16)17/h5-7,9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile?
7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 163275126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).