1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

C22H24FN5O4 — CID 56655629

IUPAC1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCOCC3)c3cc(OC4CCCCC4)c(F)cc3n2)c1
InChIInChI=1S/C22H24FN5O4/c23-17-11-18-16(10-19(17)32-15-4-2-1-3-5-15)20(27-6-8-31-9-7-27)26-22(25-18)28-13-14(12-24-28)21(29)30/h10-13,15H,1-9H2,(H,29,30)
InChIKeyAONMHDBSPPGADM-UHFFFAOYSA-N
MW441.46 g/mol
LogP3.20
Rot. Bonds5

About 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (PubChem CID 56655629) has the molecular formula C22H24FN5O4 and a molecular weight of 441.46 g/mol. Its IUPAC name is 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
PubChem CID56655629
Molecular FormulaC22H24FN5O4
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCOCC3)c3cc(OC4CCCCC4)c(F)cc3n2)c1
InChIInChI=1S/C22H24FN5O4/c23-17-11-18-16(10-19(17)32-15-4-2-1-3-5-15)20(27-6-8-31-9-7-27)26-22(25-18)28-13-14(12-24-28)21(29)30/h10-13,15H,1-9H2,(H,29,30)
InChIKeyAONMHDBSPPGADM-UHFFFAOYSA-N
XLogP3.20
TPSA102.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (CID 56655629) is 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2nc(N3CCOCC3)c3cc(OC4CCCCC4)c(F)cc3n2)c1.
What is the InChIKey of 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is AONMHDBSPPGADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4/c23-17-11-18-16(10-19(17)32-15-4-2-1-3-5-15)20(27-6-8-31-9-7-27)26-22(25-18)28-13-14(12-24-28)21(29)30/h10-13,15H,1-9H2,(H,29,30).
What are the key properties of 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 441.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexyloxy-7-fluoro-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 56655629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).