2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one

C24H24N4O2 — CID 126951219

IUPAC2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2nccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C24H24N4O2/c1-30-16-15-28-23(26-20-10-5-4-9-19(20)24(28)29)21-11-6-14-27(21)22-18-8-3-2-7-17(18)12-13-25-22/h2-5,7-10,12-13,21H,6,11,14-16H2,1H3
InChIKeyKTBSYVBAGQMCHE-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.93
Rot. Bonds5

About 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one

2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 126951219) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID126951219
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2nccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C24H24N4O2/c1-30-16-15-28-23(26-20-10-5-4-9-19(20)24(28)29)21-11-6-14-27(21)22-18-8-3-2-7-17(18)12-13-25-22/h2-5,7-10,12-13,21H,6,11,14-16H2,1H3
InChIKeyKTBSYVBAGQMCHE-UHFFFAOYSA-N
XLogP3.93
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951348
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-methoxyethyl)-2-[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951262
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-(morpholine-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951121
3-(2-methoxyethyl)-2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951333
3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951271

Frequently Asked Questions

What is the IUPAC name of 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one (CID 126951219) is 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one is COCCn1c(C2CCCN2c2nccc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is KTBSYVBAGQMCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-30-16-15-28-23(26-20-10-5-4-9-19(20)24(28)29)21-11-6-14-27(21)22-18-8-3-2-7-17(18)12-13-25-22/h2-5,7-10,12-13,21H,6,11,14-16H2,1H3.
What are the key properties of 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one?
2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 400.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 126951219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).