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3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one

C18H20N6O3 — CID 126951136

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2ncn[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C18H20N6O3/c1-27-10-9-24-16(21-13-6-3-2-5-12(13)17(24)25)14-7-4-8-23(14)18(26)15-19-11-20-22-15/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,19,20,22)
InChIKeyGCYBVNFBAMFWHQ-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.14
Rot. Bonds5

About 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951136) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951136
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2ncn[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C18H20N6O3/c1-27-10-9-24-16(21-13-6-3-2-5-12(13)17(24)25)14-7-4-8-23(14)18(26)15-19-11-20-22-15/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,19,20,22)
InChIKeyGCYBVNFBAMFWHQ-UHFFFAOYSA-N
XLogP1.14
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951136) is 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is COCCn1c(C2CCCN2C(=O)c2ncn[nH]2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is GCYBVNFBAMFWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-27-10-9-24-16(21-13-6-3-2-5-12(13)17(24)25)14-7-4-8-23(14)18(26)15-19-11-20-22-15/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,19,20,22).
What are the key properties of 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 368.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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