2-chloro-8-(oxan-4-yloxy)quinazoline

C13H13ClN2O2 — CID 58082185

IUPAC2-chloro-8-(oxan-4-yloxy)quinazoline
SMILESClc1ncc2cccc(OC3CCOCC3)c2n1
InChIInChI=1S/C13H13ClN2O2/c14-13-15-8-9-2-1-3-11(12(9)16-13)18-10-4-6-17-7-5-10/h1-3,8,10H,4-7H2
InChIKeyANUHKGIHLXSRJV-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.84
Rot. Bonds2

About 2-chloro-8-(oxan-4-yloxy)quinazoline

2-chloro-8-(oxan-4-yloxy)quinazoline (PubChem CID 58082185) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-8-(oxan-4-yloxy)quinazoline.

Molecular Properties

Compound Name2-chloro-8-(oxan-4-yloxy)quinazoline
PubChem CID58082185
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-8-(oxan-4-yloxy)quinazoline
SMILESClc1ncc2cccc(OC3CCOCC3)c2n1
InChIInChI=1S/C13H13ClN2O2/c14-13-15-8-9-2-1-3-11(12(9)16-13)18-10-4-6-17-7-5-10/h1-3,8,10H,4-7H2
InChIKeyANUHKGIHLXSRJV-UHFFFAOYSA-N
XLogP2.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 58082692
N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023
N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
CID 169158095
5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(oxan-4-yloxy)benzonitrile
CID 138576557
6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 169158099
2,4-dichloro-5-cyclopentyloxypyrimidine
CID 130057787
N-(3-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101733
4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine
CID 63936017
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858
3-methyl-8-piperidin-4-yloxyquinoline
CID 68758115
2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide
CID 76945209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(oxan-4-yloxy)quinazoline?
The IUPAC name of 2-chloro-8-(oxan-4-yloxy)quinazoline (CID 58082185) is 2-chloro-8-(oxan-4-yloxy)quinazoline.
What is the SMILES notation for 2-chloro-8-(oxan-4-yloxy)quinazoline?
The canonical SMILES for 2-chloro-8-(oxan-4-yloxy)quinazoline is Clc1ncc2cccc(OC3CCOCC3)c2n1.
What is the InChIKey of 2-chloro-8-(oxan-4-yloxy)quinazoline?
The InChIKey is ANUHKGIHLXSRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-13-15-8-9-2-1-3-11(12(9)16-13)18-10-4-6-17-7-5-10/h1-3,8,10H,4-7H2.
What are the key properties of 2-chloro-8-(oxan-4-yloxy)quinazoline?
2-chloro-8-(oxan-4-yloxy)quinazoline has a molecular weight of 264.71 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(oxan-4-yloxy)quinazoline is sourced from PubChem (CID 58082185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).