(3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

C24H21ClFN5O3 — CID 86291868

IUPAC(3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESCOc1cnc(Cl)c(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)n1
InChIInChI=1S/C24H21ClFN5O3/c1-33-20-12-27-24(25)22(30-20)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
InChIKeyMFNKUHDJBOVSQS-UHFFFAOYSA-N
MW481.92 g/mol
LogP3.81
Rot. Bonds5

About (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

(3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 86291868) has the molecular formula C24H21ClFN5O3 and a molecular weight of 481.92 g/mol. Its IUPAC name is (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID86291868
Molecular FormulaC24H21ClFN5O3
Molecular Weight481.92 g/mol
Exact Mass481.13
IUPAC Name(3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESCOc1cnc(Cl)c(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)n1
InChIInChI=1S/C24H21ClFN5O3/c1-33-20-12-27-24(25)22(30-20)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
InChIKeyMFNKUHDJBOVSQS-UHFFFAOYSA-N
XLogP3.81
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.92
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 86291868) is (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is COc1cnc(Cl)c(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)n1.
What is the InChIKey of (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is MFNKUHDJBOVSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O3/c1-33-20-12-27-24(25)22(30-20)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3.
What are the key properties of (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 481.92 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methoxypyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 86291868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).