4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline

C14H16N2O3 — CID 12799657

IUPAC4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline
SMILESCCc1ncnc2cc(OC)c(OCC3CO3)cc12
InChIInChI=1S/C14H16N2O3/c1-3-11-10-4-14(19-7-9-6-18-9)13(17-2)5-12(10)16-8-15-11/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyRWMRXSSTEJRMDM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.98
Rot. Bonds5

About 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline

4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline (PubChem CID 12799657) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline.

Molecular Properties

Compound Name4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline
PubChem CID12799657
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline
SMILESCCc1ncnc2cc(OC)c(OCC3CO3)cc12
InChIInChI=1S/C14H16N2O3/c1-3-11-10-4-14(19-7-9-6-18-9)13(17-2)5-12(10)16-8-15-11/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyRWMRXSSTEJRMDM-UHFFFAOYSA-N
XLogP1.98
TPSA56.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-4-propylquinazoline
CID 4077807
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
7-methoxy-6-(morpholin-2-ylmethoxy)-N-(4-propylphenyl)quinazolin-4-amine
CID 142675011
2-[[6,11-bis(oxiran-2-ylmethoxy)-3,7,10-tripentoxytriphenylen-2-yl]oxymethyl]oxirane
CID 101443602
3-chloro-N-[5-[[6-methoxy-7-[[(2S)-oxiran-2-yl]methoxy]quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide
CID 87871106
2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline
CID 89105920
4-bromo-6-butoxy-7-methoxyquinazoline
CID 177191947
N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142675021
4-ethyl-6-methoxypyrido[3,4-d]pyrimidine
CID 167049186
N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142674982
6,7-dimethoxy-4-methylquinazoline
CID 4319422
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline?
The IUPAC name of 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline (CID 12799657) is 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline.
What is the SMILES notation for 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline?
The canonical SMILES for 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline is CCc1ncnc2cc(OC)c(OCC3CO3)cc12.
What is the InChIKey of 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline?
The InChIKey is RWMRXSSTEJRMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-11-10-4-14(19-7-9-6-18-9)13(17-2)5-12(10)16-8-15-11/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline?
4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline has a molecular weight of 260.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline is sourced from PubChem (CID 12799657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).