About (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 146851665) has the molecular formula C27H27ClFN5O5S
and a molecular weight of 588.06 g/mol. Its IUPAC name is (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide.
Molecular Properties
| Compound Name | (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide |
|---|
| PubChem CID | 146851665 |
|---|
| Molecular Formula | C27H27ClFN5O5S |
|---|
| Molecular Weight | 588.06 g/mol |
|---|
| Exact Mass | 587.14 |
|---|
| IUPAC Name | (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide |
|---|
| SMILES | COc1ncc(-c2ccc3ncn(C[C@@H](C)C(=O)NC(C)C)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl |
|---|
| InChI | InChI=1S/C27H27ClFN5O5S/c1-15(2)32-25(35)16(3)13-34-14-31-22-7-5-17(9-20(22)27(34)36)18-10-23(26(39-4)30-12-18)33-40(37,38)24-8-6-19(29)11-21(24)28/h5-12,14-16,33H,13H2,1-4H3,(H,32,35)/t16-/m1/s1 |
|---|
| InChIKey | SIUBRGJREHNNAO-MRXNPFEDSA-N |
|---|
| XLogP | 4.22 |
|---|
| TPSA | 132.28 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 588.06 |
| LogP ≤ 5 | 4.22 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide (CID 146851665) is (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide is COc1ncc(-c2ccc3ncn(C[C@@H](C)C(=O)NC(C)C)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is SIUBRGJREHNNAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H27ClFN5O5S/c1-15(2)32-25(35)16(3)13-34-14-31-22-7-5-17(9-20(22)27(34)36)18-10-23(26(39-4)30-12-18)33-40(37,38)24-8-6-19(29)11-21(24)28/h5-12,14-16,33H,13H2,1-4H3,(H,32,35)/t16-/m1/s1.
What are the key properties of (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide?
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 588.06 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 146851665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).