7-(oxolan-3-yloxy)quinazolin-4-amine

C12H13N3O2 — CID 150616160

IUPAC7-(oxolan-3-yloxy)quinazolin-4-amine
SMILESNc1ncnc2cc(OC3CCOC3)ccc12
InChIInChI=1S/C12H13N3O2/c13-12-10-2-1-8(5-11(10)14-7-15-12)17-9-3-4-16-6-9/h1-2,5,7,9H,3-4,6H2,(H2,13,14,15)
InChIKeyIUXXKSFSTVZHSF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.38
Rot. Bonds2

About 7-(oxolan-3-yloxy)quinazolin-4-amine

7-(oxolan-3-yloxy)quinazolin-4-amine (PubChem CID 150616160) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7-(oxolan-3-yloxy)quinazolin-4-amine.

Molecular Properties

Compound Name7-(oxolan-3-yloxy)quinazolin-4-amine
PubChem CID150616160
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name7-(oxolan-3-yloxy)quinazolin-4-amine
SMILESNc1ncnc2cc(OC3CCOC3)ccc12
InChIInChI=1S/C12H13N3O2/c13-12-10-2-1-8(5-11(10)14-7-15-12)17-9-3-4-16-6-9/h1-2,5,7,9H,3-4,6H2,(H2,13,14,15)
InChIKeyIUXXKSFSTVZHSF-UHFFFAOYSA-N
XLogP1.38
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Erlotinib
CID 176870
Erlotinib Hydrochloride
CID 176871
Icotinib
CID 22024915
7-Methoxyquinazoline
CID 12213273
2-Chloro-6,7-dimethoxy-4-quinazolinamine
CID 90235
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
2,4-Quinazolinediamine, 5-methoxy-
CID 213752
Src Kinase Inhibitor I
CID 1474853
2,4-Quinazolinediamine, 6,7-dimethoxy-N2,N2-dimethyl-
CID 29503

Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-3-yloxy)quinazolin-4-amine?
The IUPAC name of 7-(oxolan-3-yloxy)quinazolin-4-amine (CID 150616160) is 7-(oxolan-3-yloxy)quinazolin-4-amine.
What is the SMILES notation for 7-(oxolan-3-yloxy)quinazolin-4-amine?
The canonical SMILES for 7-(oxolan-3-yloxy)quinazolin-4-amine is Nc1ncnc2cc(OC3CCOC3)ccc12.
What is the InChIKey of 7-(oxolan-3-yloxy)quinazolin-4-amine?
The InChIKey is IUXXKSFSTVZHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-12-10-2-1-8(5-11(10)14-7-15-12)17-9-3-4-16-6-9/h1-2,5,7,9H,3-4,6H2,(H2,13,14,15).
What are the key properties of 7-(oxolan-3-yloxy)quinazolin-4-amine?
7-(oxolan-3-yloxy)quinazolin-4-amine has a molecular weight of 231.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-3-yloxy)quinazolin-4-amine is sourced from PubChem (CID 150616160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).