3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one

C23H23N5O3 — CID 126951068

IUPAC3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1c(N2CCCC2c2nc3ccccc3c(=O)n2CCO)nc2ccccc2c1=O
InChIInChI=1S/C23H23N5O3/c1-26-21(30)15-7-2-5-10-18(15)25-23(26)27-12-6-11-19(27)20-24-17-9-4-3-8-16(17)22(31)28(20)13-14-29/h2-5,7-10,19,29H,6,11-14H2,1H3
InChIKeyNNENQJQTQVKLLW-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.98
Rot. Bonds4

About 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951068) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951068
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1c(N2CCCC2c2nc3ccccc3c(=O)n2CCO)nc2ccccc2c1=O
InChIInChI=1S/C23H23N5O3/c1-26-21(30)15-7-2-5-10-18(15)25-23(26)27-12-6-11-19(27)20-24-17-9-4-3-8-16(17)22(31)28(20)13-14-29/h2-5,7-10,19,29H,6,11-14H2,1H3
InChIKeyNNENQJQTQVKLLW-UHFFFAOYSA-N
XLogP1.98
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951022
3-(2-hydroxyethyl)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951032
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
3-(2-hydroxyethyl)-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950879
3-(2-hydroxyethyl)-2-[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951073
3-(2-hydroxyethyl)-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950790
3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951094
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126951015
3-(2-hydroxyethyl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950803
3-(2-hydroxyethyl)-2-[1-[(1-methyl-6-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950898

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951068) is 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one is Cn1c(N2CCCC2c2nc3ccccc3c(=O)n2CCO)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is NNENQJQTQVKLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-26-21(30)15-7-2-5-10-18(15)25-23(26)27-12-6-11-19(27)20-24-17-9-4-3-8-16(17)22(31)28(20)13-14-29/h2-5,7-10,19,29H,6,11-14H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 417.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).