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

C14H21N5O2 — CID 135802705

IUPAC2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C14H21N5O2/c15-12(20)9-18-5-7-19(8-6-18)14-16-11-4-2-1-3-10(11)13(21)17-14/h1-9H2,(H2,15,20)(H,16,17,21)
InChIKeyFSHPQLSXVWKIHQ-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.74
Rot. Bonds3

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

2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide (PubChem CID 135802705) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
PubChem CID135802705
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C14H21N5O2/c15-12(20)9-18-5-7-19(8-6-18)14-16-11-4-2-1-3-10(11)13(21)17-14/h1-9H2,(H2,15,20)(H,16,17,21)
InChIKeyFSHPQLSXVWKIHQ-UHFFFAOYSA-N
XLogP-0.74
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide (CID 135802705) is 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is FSHPQLSXVWKIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-12(20)9-18-5-7-19(8-6-18)14-16-11-4-2-1-3-10(11)13(21)17-14/h1-9H2,(H2,15,20)(H,16,17,21).
What are the key properties of 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 291.36 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 135802705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).