(5-chloroquinolin-8-yl) N-phenylcarbamate

C16H11ClN2O2 — CID 853660

IUPAC(5-chloroquinolin-8-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H11ClN2O2/c17-13-8-9-14(15-12(13)7-4-10-18-15)21-16(20)19-11-5-2-1-3-6-11/h1-10H,(H,19,20)
InChIKeyKGYKIUCHGZYUHP-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.50
Rot. Bonds2

About (5-chloroquinolin-8-yl) N-phenylcarbamate

(5-chloroquinolin-8-yl) N-phenylcarbamate (PubChem CID 853660) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl) N-phenylcarbamate
PubChem CID853660
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name(5-chloroquinolin-8-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H11ClN2O2/c17-13-8-9-14(15-12(13)7-4-10-18-15)21-16(20)19-11-5-2-1-3-6-11/h1-10H,(H,19,20)
InChIKeyKGYKIUCHGZYUHP-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl) N-phenylcarbamate?
The IUPAC name of (5-chloroquinolin-8-yl) N-phenylcarbamate (CID 853660) is (5-chloroquinolin-8-yl) N-phenylcarbamate.
What is the SMILES notation for (5-chloroquinolin-8-yl) N-phenylcarbamate?
The canonical SMILES for (5-chloroquinolin-8-yl) N-phenylcarbamate is O=C(Nc1ccccc1)Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of (5-chloroquinolin-8-yl) N-phenylcarbamate?
The InChIKey is KGYKIUCHGZYUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-13-8-9-14(15-12(13)7-4-10-18-15)21-16(20)19-11-5-2-1-3-6-11/h1-10H,(H,19,20).
What are the key properties of (5-chloroquinolin-8-yl) N-phenylcarbamate?
(5-chloroquinolin-8-yl) N-phenylcarbamate has a molecular weight of 298.73 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl) N-phenylcarbamate is sourced from PubChem (CID 853660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).