[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol

C24H23ClFN5O2 — CID 118966382

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)cn1
InChIInChI=1S/C24H23ClFN5O2/c1-2-31-13-15(12-29-31)24(32)18-10-19(21(26)11-20(18)25)23-17-4-3-16(9-22(17)27-14-28-23)30-5-7-33-8-6-30/h3-4,9-14,24,32H,2,5-8H2,1H3
InChIKeyQQVCKAJSGSGZCZ-UHFFFAOYSA-N
MW467.93 g/mol
LogP4.22
Rot. Bonds5

About [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol (PubChem CID 118966382) has the molecular formula C24H23ClFN5O2 and a molecular weight of 467.93 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol
PubChem CID118966382
Molecular FormulaC24H23ClFN5O2
Molecular Weight467.93 g/mol
Exact Mass467.15
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)cn1
InChIInChI=1S/C24H23ClFN5O2/c1-2-31-13-15(12-29-31)24(32)18-10-19(21(26)11-20(18)25)23-17-4-3-16(9-22(17)27-14-28-23)30-5-7-33-8-6-30/h3-4,9-14,24,32H,2,5-8H2,1H3
InChIKeyQQVCKAJSGSGZCZ-UHFFFAOYSA-N
XLogP4.22
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol (CID 118966382) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)cn1.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is QQVCKAJSGSGZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2/c1-2-31-13-15(12-29-31)24(32)18-10-19(21(26)11-20(18)25)23-17-4-3-16(9-22(17)27-14-28-23)30-5-7-33-8-6-30/h3-4,9-14,24,32H,2,5-8H2,1H3.
What are the key properties of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 467.93 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 118966382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).