N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide

C18H29N5O2 — CID 136907841

IUPACN,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C18H29N5O2/c1-3-22(4-2)16(24)13-21-9-11-23(12-10-21)18-19-15-8-6-5-7-14(15)17(25)20-18/h3-13H2,1-2H3,(H,19,20,25)
InChIKeyHQSDQCLLSWBCDN-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.64
Rot. Bonds5

About N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide

N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide (PubChem CID 136907841) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
PubChem CID136907841
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C18H29N5O2/c1-3-22(4-2)16(24)13-21-9-11-23(12-10-21)18-19-15-8-6-5-7-14(15)17(25)20-18/h3-13H2,1-2H3,(H,19,20,25)
InChIKeyHQSDQCLLSWBCDN-UHFFFAOYSA-N
XLogP0.64
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide (CID 136907841) is N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is HQSDQCLLSWBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-22(4-2)16(24)13-21-9-11-23(12-10-21)18-19-15-8-6-5-7-14(15)17(25)20-18/h3-13H2,1-2H3,(H,19,20,25).
What are the key properties of N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 136907841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).