1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine

C19H24N4O2 — CID 121255772

IUPAC1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
SMILESCCc1nc(C(N)CC(C)C)nc2cc(OC)c(-c3cnco3)cc12
InChIInChI=1S/C19H24N4O2/c1-5-15-12-7-13(18-9-21-10-25-18)17(24-4)8-16(12)23-19(22-15)14(20)6-11(2)3/h7-11,14H,5-6,20H2,1-4H3
InChIKeyHJFMOJJCYFCTLU-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.90
Rot. Bonds6

About 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine

1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine (PubChem CID 121255772) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
PubChem CID121255772
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
SMILESCCc1nc(C(N)CC(C)C)nc2cc(OC)c(-c3cnco3)cc12
InChIInChI=1S/C19H24N4O2/c1-5-15-12-7-13(18-9-21-10-25-18)17(24-4)8-16(12)23-19(22-15)14(20)6-11(2)3/h7-11,14H,5-6,20H2,1-4H3
InChIKeyHJFMOJJCYFCTLU-UHFFFAOYSA-N
XLogP3.90
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine (CID 121255772) is 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine is CCc1nc(C(N)CC(C)C)nc2cc(OC)c(-c3cnco3)cc12.
What is the InChIKey of 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
The InChIKey is HJFMOJJCYFCTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-15-12-7-13(18-9-21-10-25-18)17(24-4)8-16(12)23-19(22-15)14(20)6-11(2)3/h7-11,14H,5-6,20H2,1-4H3.
What are the key properties of 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine has a molecular weight of 340.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 121255772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).