2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol

C13H10ClN3O2 — CID 171561832

IUPAC2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
SMILESOc1cccc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C13H10ClN3O2/c14-13-16-11-9(4-1-5-10(11)18)12(17-13)15-7-8-3-2-6-19-8/h1-6,18H,7H2,(H,15,16,17)
InChIKeyBNYQGSXHTYQHNL-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol

2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol (PubChem CID 171561832) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.69 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol.

Molecular Properties

Compound Name2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
PubChem CID171561832
Molecular FormulaC13H10ClN3O2
Molecular Weight275.69 g/mol
Exact Mass275.05
IUPAC Name2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
SMILESOc1cccc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C13H10ClN3O2/c14-13-16-11-9(4-1-5-10(11)18)12(17-13)15-7-8-3-2-6-19-8/h1-6,18H,7H2,(H,15,16,17)
InChIKeyBNYQGSXHTYQHNL-UHFFFAOYSA-N
XLogP3.19
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol
CID 171561808
2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
CID 171561925
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one
CID 171561853
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170644676
2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
CID 134480903
4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one
CID 171561938
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 134480566
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
CID 171562089

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol?
The IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol (CID 171561832) is 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol.
What is the SMILES notation for 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol?
The canonical SMILES for 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol is Oc1cccc2c(NCc3ccco3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol?
The InChIKey is BNYQGSXHTYQHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-13-16-11-9(4-1-5-10(11)18)12(17-13)15-7-8-3-2-6-19-8/h1-6,18H,7H2,(H,15,16,17).
What are the key properties of 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol?
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol has a molecular weight of 275.69 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol is sourced from PubChem (CID 171561832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).