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

C24H19ClF2N4O2 — CID 86294562

IUPAC(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1cncc(F)c1Cl
InChIInChI=1S/C24H19ClF2N4O2/c25-22-18(11-28-12-20(22)27)24(32)14-1-4-19(26)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
InChIKeyKJBYMUZTLUOOTH-UHFFFAOYSA-N
MW468.89 g/mol
LogP4.54
Rot. Bonds4

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

(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 86294562) has the molecular formula C24H19ClF2N4O2 and a molecular weight of 468.89 g/mol. Its IUPAC name is (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID86294562
Molecular FormulaC24H19ClF2N4O2
Molecular Weight468.89 g/mol
Exact Mass468.12
IUPAC Name(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1cncc(F)c1Cl
InChIInChI=1S/C24H19ClF2N4O2/c25-22-18(11-28-12-20(22)27)24(32)14-1-4-19(26)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
InChIKeyKJBYMUZTLUOOTH-UHFFFAOYSA-N
XLogP4.54
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.89
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[5-[1-(3,5-difluoro-4-pyridinyl)prop-2-ynyl]-2-fluorophenyl]quinazolin-7-yl]morpholine
CID 123743146
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86292452
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998
[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954923
ethane;(2E,4Z)-1-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2,3-dimethyl-5-(methylideneamino)penta-2,4-dien-1-ol
CID 144744887
N-ethyl-N-[(Z)-1-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-1-hydroxybut-2-en-2-yl]prop-2-enamide
CID 130342469
ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815

Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 86294562) is (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is OC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1cncc(F)c1Cl.
What is the InChIKey of (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is KJBYMUZTLUOOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N4O2/c25-22-18(11-28-12-20(22)27)24(32)14-1-4-19(26)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 (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 468.89 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 86294562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).