5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole

C26H27N3O — CID 11582059

IUPAC5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C26H27N3O/c1-18-7-6-15-29(18)16-14-20-10-12-23-22(17-20)11-13-24(27-23)25-19(2)30-28-26(25)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1
InChIKeyCUVRRTILZWEZCN-GOSISDBHSA-N
MW397.52 g/mol
LogP5.89
Rot. Bonds5

About 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole

5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole (PubChem CID 11582059) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole
PubChem CID11582059
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C26H27N3O/c1-18-7-6-15-29(18)16-14-20-10-12-23-22(17-20)11-13-24(27-23)25-19(2)30-28-26(25)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1
InChIKeyCUVRRTILZWEZCN-GOSISDBHSA-N
XLogP5.89
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole (CID 11582059) is 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.
What is the InChIKey of 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole?
The InChIKey is CUVRRTILZWEZCN-GOSISDBHSA-N. The full InChI is InChI=1S/C26H27N3O/c1-18-7-6-15-29(18)16-14-20-10-12-23-22(17-20)11-13-24(27-23)25-19(2)30-28-26(25)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1.
What are the key properties of 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole?
5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole has a molecular weight of 397.52 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 11582059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).