3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one

C24H22N4O3 — CID 122512487

IUPAC3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(=O)n(C)cnc3c2)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C24H22N4O3/c1-14(17-11-23(29)26-12-17)31-22-10-16(9-20-18(22)4-3-7-25-20)15-5-6-19-21(8-15)27-13-28(2)24(19)30/h3-10,13-14,17H,11-12H2,1-2H3,(H,26,29)/t14-,17?/m1/s1
InChIKeyVKSCBEDQDBGXME-XPCCGILXSA-N
MW414.47 g/mol
LogP3.05
Rot. Bonds4

About 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one

3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one (PubChem CID 122512487) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one
PubChem CID122512487
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(=O)n(C)cnc3c2)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C24H22N4O3/c1-14(17-11-23(29)26-12-17)31-22-10-16(9-20-18(22)4-3-7-25-20)15-5-6-19-21(8-15)27-13-28(2)24(19)30/h3-10,13-14,17H,11-12H2,1-2H3,(H,26,29)/t14-,17?/m1/s1
InChIKeyVKSCBEDQDBGXME-XPCCGILXSA-N
XLogP3.05
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one (CID 122512487) is 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one is C[C@@H](Oc1cc(-c2ccc3c(=O)n(C)cnc3c2)cc2ncccc12)C1CNC(=O)C1.
What is the InChIKey of 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one?
The InChIKey is VKSCBEDQDBGXME-XPCCGILXSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14(17-11-23(29)26-12-17)31-22-10-16(9-20-18(22)4-3-7-25-20)15-5-6-19-21(8-15)27-13-28(2)24(19)30/h3-10,13-14,17H,11-12H2,1-2H3,(H,26,29)/t14-,17?/m1/s1.
What are the key properties of 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one?
3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one has a molecular weight of 414.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one is sourced from PubChem (CID 122512487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).