4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one

C24H24N4O4 — CID 171673334

IUPAC4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1[nH]cc2c1CCC2)N1C[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C24H24N4O4/c29-21-10-17(16-5-1-2-7-18(16)26-21)23(30)28-8-9-32-20-13-27(12-19(20)28)24(31)22-15-6-3-4-14(15)11-25-22/h1-2,5,7,10-11,19-20,25H,3-4,6,8-9,12-13H2,(H,26,29)/t19-,20-/m1/s1
InChIKeyIEABFIXDHJSBHN-WOJBJXKFSA-N
MW432.48 g/mol
LogP1.71
Rot. Bonds2

About 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one

4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one (PubChem CID 171673334) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one
PubChem CID171673334
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1[nH]cc2c1CCC2)N1C[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C24H24N4O4/c29-21-10-17(16-5-1-2-7-18(16)26-21)23(30)28-8-9-32-20-13-27(12-19(20)28)24(31)22-15-6-3-4-14(15)11-25-22/h1-2,5,7,10-11,19-20,25H,3-4,6,8-9,12-13H2,(H,26,29)/t19-,20-/m1/s1
InChIKeyIEABFIXDHJSBHN-WOJBJXKFSA-N
XLogP1.71
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one (CID 171673334) is 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one is O=C(c1[nH]cc2c1CCC2)N1C[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one?
The InChIKey is IEABFIXDHJSBHN-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-21-10-17(16-5-1-2-7-18(16)26-21)23(30)28-8-9-32-20-13-27(12-19(20)28)24(31)22-15-6-3-4-14(15)11-25-22/h1-2,5,7,10-11,19-20,25H,3-4,6,8-9,12-13H2,(H,26,29)/t19-,20-/m1/s1.
What are the key properties of 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one?
4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one has a molecular weight of 432.48 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aR,7aR)-6-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 171673334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).