N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine

C15H18FN3O — CID 133309587

IUPACN-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESCCN(CC1CCCO1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H18FN3O/c1-2-19(9-12-4-3-7-20-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyNIWMLLGAKIXFEO-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.77
Rot. Bonds4

About N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine

N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine (PubChem CID 133309587) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine
PubChem CID133309587
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESCCN(CC1CCCO1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H18FN3O/c1-2-19(9-12-4-3-7-20-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyNIWMLLGAKIXFEO-UHFFFAOYSA-N
XLogP2.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine (CID 133309587) is N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine is CCN(CC1CCCO1)c1ncnc2ccc(F)cc12.
What is the InChIKey of N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is NIWMLLGAKIXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-19(9-12-4-3-7-20-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3.
What are the key properties of N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 133309587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).