2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole

C23H22N4O — CID 95147070

IUPAC2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CC[C@H](c3ccnc(-c4cccc5cccnc45)c3)C2)co1
InChIInChI=1S/C23H22N4O/c1-16-26-20(15-28-16)14-27-11-8-19(13-27)18-7-10-24-22(12-18)21-6-2-4-17-5-3-9-25-23(17)21/h2-7,9-10,12,15,19H,8,11,13-14H2,1H3/t19-/m0/s1
InChIKeyMJFNTSZUSYCONV-IBGZPJMESA-N
MW370.46 g/mol
LogP4.58
Rot. Bonds4

About 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole

2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 95147070) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID95147070
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CC[C@H](c3ccnc(-c4cccc5cccnc45)c3)C2)co1
InChIInChI=1S/C23H22N4O/c1-16-26-20(15-28-16)14-27-11-8-19(13-27)18-7-10-24-22(12-18)21-6-2-4-17-5-3-9-25-23(17)21/h2-7,9-10,12,15,19H,8,11,13-14H2,1H3/t19-/m0/s1
InChIKeyMJFNTSZUSYCONV-IBGZPJMESA-N
XLogP4.58
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 95147070) is 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is Cc1nc(CN2CC[C@H](c3ccnc(-c4cccc5cccnc45)c3)C2)co1.
What is the InChIKey of 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is MJFNTSZUSYCONV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-26-20(15-28-16)14-27-11-8-19(13-27)18-7-10-24-22(12-18)21-6-2-4-17-5-3-9-25-23(17)21/h2-7,9-10,12,15,19H,8,11,13-14H2,1H3/t19-/m0/s1.
What are the key properties of 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 370.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95147070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).