2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile

C19H15N5O — CID 166795435

IUPAC2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
SMILESCn1c(Cc2cc(C3CC3)on2)nc2cnc3ccc(C#N)cc3c21
InChIInChI=1S/C19H15N5O/c1-24-18(8-13-7-17(25-23-13)12-3-4-12)22-16-10-21-15-5-2-11(9-20)6-14(15)19(16)24/h2,5-7,10,12H,3-4,8H2,1H3
InChIKeyZTSPWQRKTKBPQU-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.45
Rot. Bonds3

About 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile

2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 166795435) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID166795435
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
SMILESCn1c(Cc2cc(C3CC3)on2)nc2cnc3ccc(C#N)cc3c21
InChIInChI=1S/C19H15N5O/c1-24-18(8-13-7-17(25-23-13)12-3-4-12)22-16-10-21-15-5-2-11(9-20)6-14(15)19(16)24/h2,5-7,10,12H,3-4,8H2,1H3
InChIKeyZTSPWQRKTKBPQU-UHFFFAOYSA-N
XLogP3.45
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile (CID 166795435) is 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile is Cn1c(Cc2cc(C3CC3)on2)nc2cnc3ccc(C#N)cc3c21.
What is the InChIKey of 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is ZTSPWQRKTKBPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-24-18(8-13-7-17(25-23-13)12-3-4-12)22-16-10-21-15-5-2-11(9-20)6-14(15)19(16)24/h2,5-7,10,12H,3-4,8H2,1H3.
What are the key properties of 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile?
2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 166795435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).