3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one

C24H25N5O3 — CID 126898563

IUPAC3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C24H25N5O3/c30-12-11-29-16-26-22-14-18(5-6-20(22)24(29)32)27-7-9-28(10-8-27)23(31)13-17-15-25-21-4-2-1-3-19(17)21/h1-6,14-16,25,30H,7-13H2
InChIKeyLJZYXWAFPGIJHI-UHFFFAOYSA-N
MW431.50 g/mol
LogP1.76
Rot. Bonds5

About 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one

3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126898563) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one
PubChem CID126898563
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C24H25N5O3/c30-12-11-29-16-26-22-14-18(5-6-20(22)24(29)32)27-7-9-28(10-8-27)23(31)13-17-15-25-21-4-2-1-3-19(17)21/h1-6,14-16,25,30H,7-13H2
InChIKeyLJZYXWAFPGIJHI-UHFFFAOYSA-N
XLogP1.76
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-hydroxyethyl)-7-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126898584
3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623
1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113076853
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
3-(2-hydroxyethyl)-7-[4-(4-methylcyclohexanecarbonyl)piperazin-1-yl]quinazolin-4-one
CID 126898597
1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 126858259
3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113078739
3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898890
3-(2-hydroxyethyl)-7-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898945
4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 126898602
7-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898525

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one (CID 126898563) is 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one is O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1.
What is the InChIKey of 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is LJZYXWAFPGIJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-12-11-29-16-26-22-14-18(5-6-20(22)24(29)32)27-7-9-28(10-8-27)23(31)13-17-15-25-21-4-2-1-3-19(17)21/h1-6,14-16,25,30H,7-13H2.
What are the key properties of 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one?
3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 431.50 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).