[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol

C23H22FN5O2 — CID 118954823

IUPAC[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cn1
InChIInChI=1S/C23H22FN5O2/c1-28-13-16(12-27-28)23(30)15-2-5-20(24)19(10-15)22-18-4-3-17(11-21(18)25-14-26-22)29-6-8-31-9-7-29/h2-5,10-14,23,30H,6-9H2,1H3
InChIKeyDLENRIORLMKFNS-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.09
Rot. Bonds4

About [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol

[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol (PubChem CID 118954823) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol
PubChem CID118954823
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cn1
InChIInChI=1S/C23H22FN5O2/c1-28-13-16(12-27-28)23(30)15-2-5-20(24)19(10-15)22-18-4-3-17(11-21(18)25-14-26-22)29-6-8-31-9-7-29/h2-5,10-14,23,30H,6-9H2,1H3
InChIKeyDLENRIORLMKFNS-UHFFFAOYSA-N
XLogP3.09
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol 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-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol (CID 118954823) is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cn1.
What is the InChIKey of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol?
The InChIKey is DLENRIORLMKFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-28-13-16(12-27-28)23(30)15-2-5-20(24)19(10-15)22-18-4-3-17(11-21(18)25-14-26-22)29-6-8-31-9-7-29/h2-5,10-14,23,30H,6-9H2,1H3.
What are the key properties of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol?
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol has a molecular weight of 419.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 118954823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).