2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H27N5O3 — CID 137309600

IUPAC2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C20H27N5O3/c1-14(2)21-18(26)13-24-9-11-25(12-10-24)19(27)8-7-17-22-16-6-4-3-5-15(16)20(28)23-17/h3-6,14H,7-13H2,1-2H3,(H,21,26)(H,22,23,28)
InChIKeyICVFFIWPLKZKRT-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.52
Rot. Bonds6

About 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 137309600) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID137309600
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C20H27N5O3/c1-14(2)21-18(26)13-24-9-11-25(12-10-24)19(27)8-7-17-22-16-6-4-3-5-15(16)20(28)23-17/h3-6,14H,7-13H2,1-2H3,(H,21,26)(H,22,23,28)
InChIKeyICVFFIWPLKZKRT-UHFFFAOYSA-N
XLogP0.52
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166196801
2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135739653
2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289698
2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156766
N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide
CID 137278349
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135554900
N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136696915
4-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 178142640
2-[3-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 142398210
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137097401
(2-oxo-2-piperidin-1-ylethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135464919
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135452342

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 137309600) is 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ICVFFIWPLKZKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14(2)21-18(26)13-24-9-11-25(12-10-24)19(27)8-7-17-22-16-6-4-3-5-15(16)20(28)23-17/h3-6,14H,7-13H2,1-2H3,(H,21,26)(H,22,23,28).
What are the key properties of 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 385.47 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 137309600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).