1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

C23H21N5O3 — CID 66747350

IUPAC1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCOCC3)c3cc(Cc4ccccc4)ccc3n2)c1
InChIInChI=1S/C23H21N5O3/c29-22(30)18-14-24-28(15-18)23-25-20-7-6-17(12-16-4-2-1-3-5-16)13-19(20)21(26-23)27-8-10-31-11-9-27/h1-7,13-15H,8-12H2,(H,29,30)
InChIKeyGMLXKSSIKUZMGQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.94
Rot. Bonds5

About 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (PubChem CID 66747350) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
PubChem CID66747350
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCOCC3)c3cc(Cc4ccccc4)ccc3n2)c1
InChIInChI=1S/C23H21N5O3/c29-22(30)18-14-24-28(15-18)23-25-20-7-6-17(12-16-4-2-1-3-5-16)13-19(20)21(26-23)27-8-10-31-11-9-27/h1-7,13-15H,8-12H2,(H,29,30)
InChIKeyGMLXKSSIKUZMGQ-UHFFFAOYSA-N
XLogP2.94
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 66747741
1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 56656538
1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 56656091
1-[7-chloro-6-(2-methylphenyl)-4-pyrrolidin-1-ylquinazolin-2-yl]pyrazole-4-carboxylic acid
CID 66747410
1-[6-benzyl-7-chloro-4-[ethyl(methyl)amino]quinazolin-2-yl]pyrazole-4-carboxylic acid
CID 66747910
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
1-[6-[(2,6-dimethylphenyl)methylamino]-7-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl]pyrazole-4-carboxylic acid
CID 66747407
4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine
CID 166738469
1-quinazolin-2-ylpyrazole-4-carboxylic acid
CID 114789671
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191
4-(4-benzylphenyl)morpholine
CID 11514364
9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid
CID 168920778

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (CID 66747350) is 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2nc(N3CCOCC3)c3cc(Cc4ccccc4)ccc3n2)c1.
What is the InChIKey of 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is GMLXKSSIKUZMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-22(30)18-14-24-28(15-18)23-25-20-7-6-17(12-16-4-2-1-3-5-16)13-19(20)21(26-23)27-8-10-31-11-9-27/h1-7,13-15H,8-12H2,(H,29,30).
What are the key properties of 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 415.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 66747350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).