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

C22H25N5O2 — CID 126951348

IUPAC2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2nccnc2C2CC2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N5O2/c1-29-14-13-27-20(25-17-6-3-2-5-16(17)22(27)28)18-7-4-12-26(18)21-19(15-8-9-15)23-10-11-24-21/h2-3,5-6,10-11,15,18H,4,7-9,12-14H2,1H3
InChIKeyBKXFXWHLOBSTIT-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.05
Rot. Bonds6

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

2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 126951348) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID126951348
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2nccnc2C2CC2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N5O2/c1-29-14-13-27-20(25-17-6-3-2-5-16(17)22(27)28)18-7-4-12-26(18)21-19(15-8-9-15)23-10-11-24-21/h2-3,5-6,10-11,15,18H,4,7-9,12-14H2,1H3
InChIKeyBKXFXWHLOBSTIT-UHFFFAOYSA-N
XLogP3.05
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 126951219
3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951223
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-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951387
2-[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951238
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-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951293
3-(2-methoxyethyl)-2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951121
3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949394
3-(2-methoxyethyl)-2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951333

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one (CID 126951348) is 2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one is COCCn1c(C2CCCN2c2nccnc2C2CC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is BKXFXWHLOBSTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-14-13-27-20(25-17-6-3-2-5-16(17)22(27)28)18-7-4-12-26(18)21-19(15-8-9-15)23-10-11-24-21/h2-3,5-6,10-11,15,18H,4,7-9,12-14H2,1H3.
What are the key properties of 2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 391.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 126951348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).