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

C24H24N4O3 — CID 126950734

IUPAC3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCC1c1nc2ccccc2c(=O)n1CCO
InChIInChI=1S/C24H24N4O3/c29-13-12-28-23(26-20-9-4-2-7-18(20)24(28)31)21-10-5-11-27(21)22(30)14-16-15-25-19-8-3-1-6-17(16)19/h1-4,6-9,15,21,25,29H,5,10-14H2
InChIKeyRBTXMOFJOSXZBP-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.78
Rot. Bonds5

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

3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126950734) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126950734
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCC1c1nc2ccccc2c(=O)n1CCO
InChIInChI=1S/C24H24N4O3/c29-13-12-28-23(26-20-9-4-2-7-18(20)24(28)31)21-10-5-11-27(21)22(30)14-16-15-25-19-8-3-1-6-17(16)19/h1-4,6-9,15,21,25,29H,5,10-14H2
InChIKeyRBTXMOFJOSXZBP-UHFFFAOYSA-N
XLogP2.78
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
2-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950700
3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951131
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951022
3-methyl-5-[2-[4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-2-yl]pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126950447
2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951142
3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951128
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 97017412
2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949257

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126950734) is 3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one is O=C(Cc1c[nH]c2ccccc12)N1CCCC1c1nc2ccccc2c(=O)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is RBTXMOFJOSXZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-13-12-28-23(26-20-9-4-2-7-18(20)24(28)31)21-10-5-11-27(21)22(30)14-16-15-25-19-8-3-1-6-17(16)19/h1-4,6-9,15,21,25,29H,5,10-14H2.
What are the key properties of 3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one?
3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 416.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126950734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).