7-methoxy-6-(3-methoxypropoxy)quinazoline

C13H16N2O3 — CID 175806102

IUPAC7-methoxy-6-(3-methoxypropoxy)quinazoline
SMILESCOCCCOc1cc2cncnc2cc1OC
InChIInChI=1S/C13H16N2O3/c1-16-4-3-5-18-13-6-10-8-14-9-15-11(10)7-12(13)17-2/h6-9H,3-5H2,1-2H3
InChIKeyRJPZSYOMGQVWHW-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.05
Rot. Bonds6

About 7-methoxy-6-(3-methoxypropoxy)quinazoline

7-methoxy-6-(3-methoxypropoxy)quinazoline (PubChem CID 175806102) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7-methoxy-6-(3-methoxypropoxy)quinazoline.

Molecular Properties

Compound Name7-methoxy-6-(3-methoxypropoxy)quinazoline
PubChem CID175806102
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name7-methoxy-6-(3-methoxypropoxy)quinazoline
SMILESCOCCCOc1cc2cncnc2cc1OC
InChIInChI=1S/C13H16N2O3/c1-16-4-3-5-18-13-6-10-8-14-9-15-11(10)7-12(13)17-2/h6-9H,3-5H2,1-2H3
InChIKeyRJPZSYOMGQVWHW-UHFFFAOYSA-N
XLogP2.05
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(3-methoxypropoxy)quinazoline?
The IUPAC name of 7-methoxy-6-(3-methoxypropoxy)quinazoline (CID 175806102) is 7-methoxy-6-(3-methoxypropoxy)quinazoline.
What is the SMILES notation for 7-methoxy-6-(3-methoxypropoxy)quinazoline?
The canonical SMILES for 7-methoxy-6-(3-methoxypropoxy)quinazoline is COCCCOc1cc2cncnc2cc1OC.
What is the InChIKey of 7-methoxy-6-(3-methoxypropoxy)quinazoline?
The InChIKey is RJPZSYOMGQVWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-16-4-3-5-18-13-6-10-8-14-9-15-11(10)7-12(13)17-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 7-methoxy-6-(3-methoxypropoxy)quinazoline?
7-methoxy-6-(3-methoxypropoxy)quinazoline has a molecular weight of 248.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-(3-methoxypropoxy)quinazoline is sourced from PubChem (CID 175806102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).