3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one

C21H24N4O2 — CID 126951198

IUPAC3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2ccnc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-15-14-16(9-10-22-15)24-11-5-8-19(24)20-23-18-7-4-3-6-17(18)21(26)25(20)12-13-27-2/h3-4,6-7,9-10,14,19H,5,8,11-13H2,1-2H3
InChIKeyFNGROSKGVOZBNI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.09
Rot. Bonds5

About 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951198) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951198
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2ccnc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-15-14-16(9-10-22-15)24-11-5-8-19(24)20-23-18-7-4-3-6-17(18)21(26)25(20)12-13-27-2/h3-4,6-7,9-10,14,19H,5,8,11-13H2,1-2H3
InChIKeyFNGROSKGVOZBNI-UHFFFAOYSA-N
XLogP3.09
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951198) is 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one is COCCn1c(C2CCCN2c2ccnc(C)c2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is FNGROSKGVOZBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-14-16(9-10-22-15)24-11-5-8-19(24)20-23-18-7-4-3-6-17(18)21(26)25(20)12-13-27-2/h3-4,6-7,9-10,14,19H,5,8,11-13H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).