2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate

C14H11N3O2 — CID 175089778

IUPAC2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate
SMILESC=C(COC(N)=O)c1cccc2c(C#N)ccnc12
InChIInChI=1S/C14H11N3O2/c1-9(8-19-14(16)18)11-3-2-4-12-10(7-15)5-6-17-13(11)12/h2-6H,1,8H2,(H2,16,18)
InChIKeyJKRWOINNWPOOCV-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds3

About 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate

2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate (PubChem CID 175089778) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate.

Molecular Properties

Compound Name2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate
PubChem CID175089778
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate
SMILESC=C(COC(N)=O)c1cccc2c(C#N)ccnc12
InChIInChI=1S/C14H11N3O2/c1-9(8-19-14(16)18)11-3-2-4-12-10(7-15)5-6-17-13(11)12/h2-6H,1,8H2,(H2,16,18)
InChIKeyJKRWOINNWPOOCV-UHFFFAOYSA-N
XLogP2.21
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate?
The IUPAC name of 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate (CID 175089778) is 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate.
What is the SMILES notation for 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate?
The canonical SMILES for 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate is C=C(COC(N)=O)c1cccc2c(C#N)ccnc12.
What is the InChIKey of 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate?
The InChIKey is JKRWOINNWPOOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9(8-19-14(16)18)11-3-2-4-12-10(7-15)5-6-17-13(11)12/h2-6H,1,8H2,(H2,16,18).
What are the key properties of 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate?
2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate has a molecular weight of 253.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate is sourced from PubChem (CID 175089778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).