2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

C19H19FN4O — CID 2952933

IUPAC2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESFc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H19FN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,21,22,23,24)
InChIKeyCSJCCQFXNBTWJH-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.10
Rot. Bonds5

About 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 2952933) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID2952933
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESFc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H19FN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,21,22,23,24)
InChIKeyCSJCCQFXNBTWJH-UHFFFAOYSA-N
XLogP4.10
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (CID 2952933) is 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is Fc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is CSJCCQFXNBTWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,21,22,23,24).
What are the key properties of 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 338.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 2952933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).