N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

C21H24N4O3 — CID 644713

IUPACN-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESO=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NCc1ccco1
InChIInChI=1S/C21H24N4O3/c26-20(22-13-16-7-6-12-28-16)15-25-19(14-24-10-4-1-5-11-24)23-18-9-3-2-8-17(18)21(25)27/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,22,26)
InChIKeySPGCCNMRPRSTMY-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.29
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (PubChem CID 644713) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
PubChem CID644713
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESO=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NCc1ccco1
InChIInChI=1S/C21H24N4O3/c26-20(22-13-16-7-6-12-28-16)15-25-19(14-24-10-4-1-5-11-24)23-18-9-3-2-8-17(18)21(25)27/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,22,26)
InChIKeySPGCCNMRPRSTMY-UHFFFAOYSA-N
XLogP2.29
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (CID 644713) is N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The InChIKey is SPGCCNMRPRSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20(22-13-16-7-6-12-28-16)15-25-19(14-24-10-4-1-5-11-24)23-18-9-3-2-8-17(18)21(25)27/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,22,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 644713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).