4-(cyclopropylmethoxy)quinoline-3-carbonitrile

C14H12N2O — CID 43669223

IUPAC4-(cyclopropylmethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1OCC1CC1
InChIInChI=1S/C14H12N2O/c15-7-11-8-16-13-4-2-1-3-12(13)14(11)17-9-10-5-6-10/h1-4,8,10H,5-6,9H2
InChIKeyMTCRPCKUEMKTQO-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.90
Rot. Bonds3

About 4-(cyclopropylmethoxy)quinoline-3-carbonitrile

4-(cyclopropylmethoxy)quinoline-3-carbonitrile (PubChem CID 43669223) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)quinoline-3-carbonitrile
PubChem CID43669223
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-(cyclopropylmethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1OCC1CC1
InChIInChI=1S/C14H12N2O/c15-7-11-8-16-13-4-2-1-3-12(13)14(11)17-9-10-5-6-10/h1-4,8,10H,5-6,9H2
InChIKeyMTCRPCKUEMKTQO-UHFFFAOYSA-N
XLogP2.90
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(cyclopropylmethoxy)quinoline-3-carbonitrile (CID 43669223) is 4-(cyclopropylmethoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(cyclopropylmethoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(cyclopropylmethoxy)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1OCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)quinoline-3-carbonitrile?
The InChIKey is MTCRPCKUEMKTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-7-11-8-16-13-4-2-1-3-12(13)14(11)17-9-10-5-6-10/h1-4,8,10H,5-6,9H2.
What are the key properties of 4-(cyclopropylmethoxy)quinoline-3-carbonitrile?
4-(cyclopropylmethoxy)quinoline-3-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 43669223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).