3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile

C27H18N4O2 — CID 44600880

IUPAC3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cccc(-n2ccc(COc3ccc4ccccc4n3)cc2=O)c1-c1ccncc1
InChIInChI=1S/C27H18N4O2/c28-17-22-5-3-7-24(27(22)21-10-13-29-14-11-21)31-15-12-19(16-26(31)32)18-33-25-9-8-20-4-1-2-6-23(20)30-25/h1-16H,18H2
InChIKeyOINSHLBSMBCVGL-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.90
Rot. Bonds5

About 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile

3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile (PubChem CID 44600880) has the molecular formula C27H18N4O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile
PubChem CID44600880
Molecular FormulaC27H18N4O2
Molecular Weight430.47 g/mol
Exact Mass430.14
IUPAC Name3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cccc(-n2ccc(COc3ccc4ccccc4n3)cc2=O)c1-c1ccncc1
InChIInChI=1S/C27H18N4O2/c28-17-22-5-3-7-24(27(22)21-10-13-29-14-11-21)31-15-12-19(16-26(31)32)18-33-25-9-8-20-4-1-2-6-23(20)30-25/h1-16H,18H2
InChIKeyOINSHLBSMBCVGL-UHFFFAOYSA-N
XLogP4.90
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile (CID 44600880) is 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile is N#Cc1cccc(-n2ccc(COc3ccc4ccccc4n3)cc2=O)c1-c1ccncc1.
What is the InChIKey of 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile?
The InChIKey is OINSHLBSMBCVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O2/c28-17-22-5-3-7-24(27(22)21-10-13-29-14-11-21)31-15-12-19(16-26(31)32)18-33-25-9-8-20-4-1-2-6-23(20)30-25/h1-16H,18H2.
What are the key properties of 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile?
3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile has a molecular weight of 430.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 44600880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).