(6-chloro-4-phenylquinolin-2-yl)methyl formate

C17H12ClNO2 — CID 175112288

IUPAC(6-chloro-4-phenylquinolin-2-yl)methyl formate
SMILESO=COCc1cc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H12ClNO2/c18-13-6-7-17-16(8-13)15(12-4-2-1-3-5-12)9-14(19-17)10-21-11-20/h1-9,11H,10H2
InChIKeyPVNFWTMSDBSIMX-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.23
Rot. Bonds4

About (6-chloro-4-phenylquinolin-2-yl)methyl formate

(6-chloro-4-phenylquinolin-2-yl)methyl formate (PubChem CID 175112288) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is (6-chloro-4-phenylquinolin-2-yl)methyl formate.

Molecular Properties

Compound Name(6-chloro-4-phenylquinolin-2-yl)methyl formate
PubChem CID175112288
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name(6-chloro-4-phenylquinolin-2-yl)methyl formate
SMILESO=COCc1cc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H12ClNO2/c18-13-6-7-17-16(8-13)15(12-4-2-1-3-5-12)9-14(19-17)10-21-11-20/h1-9,11H,10H2
InChIKeyPVNFWTMSDBSIMX-UHFFFAOYSA-N
XLogP4.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-phenylquinolin-2-yl)methyl formate?
The IUPAC name of (6-chloro-4-phenylquinolin-2-yl)methyl formate (CID 175112288) is (6-chloro-4-phenylquinolin-2-yl)methyl formate.
What is the SMILES notation for (6-chloro-4-phenylquinolin-2-yl)methyl formate?
The canonical SMILES for (6-chloro-4-phenylquinolin-2-yl)methyl formate is O=COCc1cc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of (6-chloro-4-phenylquinolin-2-yl)methyl formate?
The InChIKey is PVNFWTMSDBSIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-13-6-7-17-16(8-13)15(12-4-2-1-3-5-12)9-14(19-17)10-21-11-20/h1-9,11H,10H2.
What are the key properties of (6-chloro-4-phenylquinolin-2-yl)methyl formate?
(6-chloro-4-phenylquinolin-2-yl)methyl formate has a molecular weight of 297.74 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-phenylquinolin-2-yl)methyl formate is sourced from PubChem (CID 175112288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).