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

C22H26N4O3 — CID 126951295

IUPAC3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2Cc2ccn(C)c(=O)c2)nc2ccccc2c1=O
InChIInChI=1S/C22H26N4O3/c1-24-11-9-16(14-20(24)27)15-25-10-5-8-19(25)21-23-18-7-4-3-6-17(18)22(28)26(21)12-13-29-2/h3-4,6-7,9,11,14,19H,5,8,10,12-13,15H2,1-2H3
InChIKeyIRACKRRWLDDYIU-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.08
Rot. Bonds6

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

3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951295) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951295
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2Cc2ccn(C)c(=O)c2)nc2ccccc2c1=O
InChIInChI=1S/C22H26N4O3/c1-24-11-9-16(14-20(24)27)15-25-10-5-8-19(25)21-23-18-7-4-3-6-17(18)22(28)26(21)12-13-29-2/h3-4,6-7,9,11,14,19H,5,8,10,12-13,15H2,1-2H3
InChIKeyIRACKRRWLDDYIU-UHFFFAOYSA-N
XLogP2.08
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951271
3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951293
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-methoxyethyl)-2-[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951262
3-(2-hydroxyethyl)-2-[1-[(1-methyl-6-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950898
3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951387
3-(2-methoxyethyl)-2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951333
3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951223
2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 126951219
3-methyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949462
3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951198
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951186

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126951295) is 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one is COCCn1c(C2CCCN2Cc2ccn(C)c(=O)c2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is IRACKRRWLDDYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-24-11-9-16(14-20(24)27)15-25-10-5-8-19(25)21-23-18-7-4-3-6-17(18)22(28)26(21)12-13-29-2/h3-4,6-7,9,11,14,19H,5,8,10,12-13,15H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 394.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).