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2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one

C24H24N4O3 — CID 126951131

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

IUPAC2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2ccc3cc[nH]c3c2)nc2ccccc2c1=O
InChIInChI=1S/C24H24N4O3/c1-31-14-13-28-22(26-19-6-3-2-5-18(19)24(28)30)21-7-4-12-27(21)23(29)17-9-8-16-10-11-25-20(16)15-17/h2-3,5-6,8-11,15,21,25H,4,7,12-14H2,1H3
InChIKeyFHTVASIGXAKOTG-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.50
Rot. Bonds5

About 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one

2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 126951131) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID126951131
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2ccc3cc[nH]c3c2)nc2ccccc2c1=O
InChIInChI=1S/C24H24N4O3/c1-31-14-13-28-22(26-19-6-3-2-5-18(19)24(28)30)21-7-4-12-27(21)23(29)17-9-8-16-10-11-25-20(16)15-17/h2-3,5-6,8-11,15,21,25H,4,7,12-14H2,1H3
InChIKeyFHTVASIGXAKOTG-UHFFFAOYSA-N
XLogP3.50
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one (CID 126951131) is 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one is COCCn1c(C2CCCN2C(=O)c2ccc3cc[nH]c3c2)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is FHTVASIGXAKOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-31-14-13-28-22(26-19-6-3-2-5-18(19)24(28)30)21-7-4-12-27(21)23(29)17-9-8-16-10-11-25-20(16)15-17/h2-3,5-6,8-11,15,21,25H,4,7,12-14H2,1H3.
What are the key properties of 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 416.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 126951131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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