(3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

C24H19Cl2FN4O2 — CID 118954735

IUPAC(3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C24H19Cl2FN4O2/c25-18-11-28-12-19(26)22(18)24(32)14-1-4-20(27)17(9-14)23-16-3-2-15(10-21(16)29-13-30-23)31-5-7-33-8-6-31/h1-4,9-13,24,32H,5-8H2
InChIKeyJUJIBZUQPZFDCW-UHFFFAOYSA-N
MW485.35 g/mol
LogP5.06
Rot. Bonds4

About (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

(3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 118954735) has the molecular formula C24H19Cl2FN4O2 and a molecular weight of 485.35 g/mol. Its IUPAC name is (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID118954735
Molecular FormulaC24H19Cl2FN4O2
Molecular Weight485.35 g/mol
Exact Mass484.09
IUPAC Name(3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C24H19Cl2FN4O2/c25-18-11-28-12-19(26)22(18)24(32)14-1-4-20(27)17(9-14)23-16-3-2-15(10-21(16)29-13-30-23)31-5-7-33-8-6-31/h1-4,9-13,24,32H,5-8H2
InChIKeyJUJIBZUQPZFDCW-UHFFFAOYSA-N
XLogP5.06
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]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 (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 118954735) is (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is OC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1c(Cl)cncc1Cl.
What is the InChIKey of (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is JUJIBZUQPZFDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN4O2/c25-18-11-28-12-19(26)22(18)24(32)14-1-4-20(27)17(9-14)23-16-3-2-15(10-21(16)29-13-30-23)31-5-7-33-8-6-31/h1-4,9-13,24,32H,5-8H2.
What are the key properties of (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 485.35 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 118954735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).