7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole

C16H13ClN2O — CID 81421258

IUPAC7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
SMILESClc1cccc2nc(-c3ccc4c(c3)CCCN4)oc12
InChIInChI=1S/C16H13ClN2O/c17-12-4-1-5-14-15(12)20-16(19-14)11-6-7-13-10(9-11)3-2-8-18-13/h1,4-7,9,18H,2-3,8H2
InChIKeyBABPBBCULQPEAS-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.51
Rot. Bonds1

About 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole

7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole (PubChem CID 81421258) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
PubChem CID81421258
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
SMILESClc1cccc2nc(-c3ccc4c(c3)CCCN4)oc12
InChIInChI=1S/C16H13ClN2O/c17-12-4-1-5-14-15(12)20-16(19-14)11-6-7-13-10(9-11)3-2-8-18-13/h1,4-7,9,18H,2-3,8H2
InChIKeyBABPBBCULQPEAS-UHFFFAOYSA-N
XLogP4.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole?
The IUPAC name of 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole (CID 81421258) is 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole?
The canonical SMILES for 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole is Clc1cccc2nc(-c3ccc4c(c3)CCCN4)oc12.
What is the InChIKey of 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole?
The InChIKey is BABPBBCULQPEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-4-1-5-14-15(12)20-16(19-14)11-6-7-13-10(9-11)3-2-8-18-13/h1,4-7,9,18H,2-3,8H2.
What are the key properties of 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole?
7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole has a molecular weight of 284.75 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 81421258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).