4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine

C19H24FN7O — CID 164621891

IUPAC4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
SMILESCCc1cc(Nc2nc(NCCN3CCOCC3)nc3cccc(F)c23)n[nH]1
InChIInChI=1S/C19H24FN7O/c1-2-13-12-16(26-25-13)23-18-17-14(20)4-3-5-15(17)22-19(24-18)21-6-7-27-8-10-28-11-9-27/h3-5,12H,2,6-11H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyGJTSSIBHWSHNDQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.54
Rot. Bonds7

About 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine

4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine (PubChem CID 164621891) has the molecular formula C19H24FN7O and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
PubChem CID164621891
Molecular FormulaC19H24FN7O
Molecular Weight385.45 g/mol
Exact Mass385.20
IUPAC Name4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
SMILESCCc1cc(Nc2nc(NCCN3CCOCC3)nc3cccc(F)c23)n[nH]1
InChIInChI=1S/C19H24FN7O/c1-2-13-12-16(26-25-13)23-18-17-14(20)4-3-5-15(17)22-19(24-18)21-6-7-27-8-10-28-11-9-27/h3-5,12H,2,6-11H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyGJTSSIBHWSHNDQ-UHFFFAOYSA-N
XLogP2.54
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine (CID 164621891) is 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine is CCc1cc(Nc2nc(NCCN3CCOCC3)nc3cccc(F)c23)n[nH]1.
What is the InChIKey of 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine?
The InChIKey is GJTSSIBHWSHNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN7O/c1-2-13-12-16(26-25-13)23-18-17-14(20)4-3-5-15(17)22-19(24-18)21-6-7-27-8-10-28-11-9-27/h3-5,12H,2,6-11H2,1H3,(H3,21,22,23,24,25,26).
What are the key properties of 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine?
4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine has a molecular weight of 385.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 164621891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).