6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide

C24H23N5O4 — CID 167826598

IUPAC6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide
SMILESCc1ccc2ncnc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)c2c1
InChIInChI=1S/C24H23N5O4/c1-15-5-7-18-17(11-15)22(26-14-25-18)23(31)27-16-6-8-20-19(12-16)29(24(32)33-20)13-21(30)28-9-3-2-4-10-28/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,27,31)
InChIKeyPHNUTQFGVOOMRS-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.11
Rot. Bonds4

About 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide

6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide (PubChem CID 167826598) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide
PubChem CID167826598
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide
SMILESCc1ccc2ncnc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)c2c1
InChIInChI=1S/C24H23N5O4/c1-15-5-7-18-17(11-15)22(26-14-25-18)23(31)27-16-6-8-20-19(12-16)29(24(32)33-20)13-21(30)28-9-3-2-4-10-28/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,27,31)
InChIKeyPHNUTQFGVOOMRS-UHFFFAOYSA-N
XLogP3.11
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide?
The IUPAC name of 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide (CID 167826598) is 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide is Cc1ccc2ncnc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)c2c1.
What is the InChIKey of 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide?
The InChIKey is PHNUTQFGVOOMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15-5-7-18-17(11-15)22(26-14-25-18)23(31)27-16-6-8-20-19(12-16)29(24(32)33-20)13-21(30)28-9-3-2-4-10-28/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,27,31).
What are the key properties of 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide?
6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide is sourced from PubChem (CID 167826598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).