tert-butyl 4-chloroquinoline-2-carboxylate

C14H14ClNO2 — CID 63839515

IUPACtert-butyl 4-chloroquinoline-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H14ClNO2/c1-14(2,3)18-13(17)12-8-10(15)9-6-4-5-7-11(9)16-12/h4-8H,1-3H3
InChIKeyDDQSEYXCQRJPSV-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.84
Rot. Bonds1

About tert-butyl 4-chloroquinoline-2-carboxylate

tert-butyl 4-chloroquinoline-2-carboxylate (PubChem CID 63839515) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is tert-butyl 4-chloroquinoline-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-chloroquinoline-2-carboxylate
PubChem CID63839515
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Nametert-butyl 4-chloroquinoline-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H14ClNO2/c1-14(2,3)18-13(17)12-8-10(15)9-6-4-5-7-11(9)16-12/h4-8H,1-3H3
InChIKeyDDQSEYXCQRJPSV-UHFFFAOYSA-N
XLogP3.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-chloroquinoline-2-carboxylate?
The IUPAC name of tert-butyl 4-chloroquinoline-2-carboxylate (CID 63839515) is tert-butyl 4-chloroquinoline-2-carboxylate.
What is the SMILES notation for tert-butyl 4-chloroquinoline-2-carboxylate?
The canonical SMILES for tert-butyl 4-chloroquinoline-2-carboxylate is CC(C)(C)OC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of tert-butyl 4-chloroquinoline-2-carboxylate?
The InChIKey is DDQSEYXCQRJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-14(2,3)18-13(17)12-8-10(15)9-6-4-5-7-11(9)16-12/h4-8H,1-3H3.
What are the key properties of tert-butyl 4-chloroquinoline-2-carboxylate?
tert-butyl 4-chloroquinoline-2-carboxylate has a molecular weight of 263.72 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-chloroquinoline-2-carboxylate is sourced from PubChem (CID 63839515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).