8-methoxy-7-(3-methylbutoxy)quinazoline

C14H18N2O2 — CID 91803177

IUPAC8-methoxy-7-(3-methylbutoxy)quinazoline
SMILESCOc1c(OCCC(C)C)ccc2cncnc12
InChIInChI=1S/C14H18N2O2/c1-10(2)6-7-18-12-5-4-11-8-15-9-16-13(11)14(12)17-3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyZYNQRIUUXKZKTF-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.06
Rot. Bonds5

About 8-methoxy-7-(3-methylbutoxy)quinazoline

8-methoxy-7-(3-methylbutoxy)quinazoline (PubChem CID 91803177) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-methoxy-7-(3-methylbutoxy)quinazoline.

Molecular Properties

Compound Name8-methoxy-7-(3-methylbutoxy)quinazoline
PubChem CID91803177
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name8-methoxy-7-(3-methylbutoxy)quinazoline
SMILESCOc1c(OCCC(C)C)ccc2cncnc12
InChIInChI=1S/C14H18N2O2/c1-10(2)6-7-18-12-5-4-11-8-15-9-16-13(11)14(12)17-3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyZYNQRIUUXKZKTF-UHFFFAOYSA-N
XLogP3.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7-(3-methylbutoxy)quinazoline?
The IUPAC name of 8-methoxy-7-(3-methylbutoxy)quinazoline (CID 91803177) is 8-methoxy-7-(3-methylbutoxy)quinazoline.
What is the SMILES notation for 8-methoxy-7-(3-methylbutoxy)quinazoline?
The canonical SMILES for 8-methoxy-7-(3-methylbutoxy)quinazoline is COc1c(OCCC(C)C)ccc2cncnc12.
What is the InChIKey of 8-methoxy-7-(3-methylbutoxy)quinazoline?
The InChIKey is ZYNQRIUUXKZKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)6-7-18-12-5-4-11-8-15-9-16-13(11)14(12)17-3/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 8-methoxy-7-(3-methylbutoxy)quinazoline?
8-methoxy-7-(3-methylbutoxy)quinazoline has a molecular weight of 246.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-(3-methylbutoxy)quinazoline is sourced from PubChem (CID 91803177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).