3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one

C20H23N5O3 — CID 126951387

IUPAC3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2cc(=O)n(C)cn2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N5O3/c1-23-13-21-17(12-18(23)26)24-9-5-8-16(24)19-22-15-7-4-3-6-14(15)20(27)25(19)10-11-28-2/h3-4,6-7,12-13,16H,5,8-11H2,1-2H3
InChIKeyPOBRIHFGUPRLBH-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.48
Rot. Bonds5

About 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951387) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951387
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2cc(=O)n(C)cn2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N5O3/c1-23-13-21-17(12-18(23)26)24-9-5-8-16(24)19-22-15-7-4-3-6-14(15)20(27)25(19)10-11-28-2/h3-4,6-7,12-13,16H,5,8-11H2,1-2H3
InChIKeyPOBRIHFGUPRLBH-UHFFFAOYSA-N
XLogP1.48
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950671
2-[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951238
2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 126951219
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
3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951223
2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951348
3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951295
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951293
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-(morpholine-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951121

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951387) is 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one is COCCn1c(C2CCCN2c2cc(=O)n(C)cn2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is POBRIHFGUPRLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-23-13-21-17(12-18(23)26)24-9-5-8-16(24)19-22-15-7-4-3-6-14(15)20(27)25(19)10-11-28-2/h3-4,6-7,12-13,16H,5,8-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 381.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).