5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one

C27H28N4O2 — CID 126698081

IUPAC5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2ccc3c(c2)CNC3)ccc2c3oc(N4CCC(C)C4)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C27H28N4O2/c1-15-9-10-30(14-15)27-29-23-25(33-27)22-8-7-21(17-3-4-18-12-28-13-19(18)11-17)16(2)24(22)31(26(23)32)20-5-6-20/h3-4,7-8,11,15,20,28H,5-6,9-10,12-14H2,1-2H3
InChIKeyHNNRYWKIXMTTIM-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.90
Rot. Bonds3

About 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one

5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126698081) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126698081
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2ccc3c(c2)CNC3)ccc2c3oc(N4CCC(C)C4)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C27H28N4O2/c1-15-9-10-30(14-15)27-29-23-25(33-27)22-8-7-21(17-3-4-18-12-28-13-19(18)11-17)16(2)24(22)31(26(23)32)20-5-6-20/h3-4,7-8,11,15,20,28H,5-6,9-10,12-14H2,1-2H3
InChIKeyHNNRYWKIXMTTIM-UHFFFAOYSA-N
XLogP4.90
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126698081) is 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one is Cc1c(-c2ccc3c(c2)CNC3)ccc2c3oc(N4CCC(C)C4)nc3c(=O)n(C3CC3)c12.
What is the InChIKey of 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is HNNRYWKIXMTTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-15-9-10-30(14-15)27-29-23-25(33-27)22-8-7-21(17-3-4-18-12-28-13-19(18)11-17)16(2)24(22)31(26(23)32)20-5-6-20/h3-4,7-8,11,15,20,28H,5-6,9-10,12-14H2,1-2H3.
What are the key properties of 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 440.55 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126698081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).