2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline

C18H18N4O — CID 171702682

IUPAC2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline
SMILESCc1cnc(OC2CCN(c3ccc4ccccc4n3)C2)nc1
InChIInChI=1S/C18H18N4O/c1-13-10-19-18(20-11-13)23-15-8-9-22(12-15)17-7-6-14-4-2-3-5-16(14)21-17/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyWBZLLVSOQXDYQP-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.99
Rot. Bonds3

About 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline

2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline (PubChem CID 171702682) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline
PubChem CID171702682
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline
SMILESCc1cnc(OC2CCN(c3ccc4ccccc4n3)C2)nc1
InChIInChI=1S/C18H18N4O/c1-13-10-19-18(20-11-13)23-15-8-9-22(12-15)17-7-6-14-4-2-3-5-16(14)21-17/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyWBZLLVSOQXDYQP-UHFFFAOYSA-N
XLogP2.99
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 171701989
2,5-dimethyl-3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine
CID 171701875
2-(3-pyridin-3-yloxypiperidin-1-yl)quinoline
CID 166603710
N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine
CID 171701964
2-[4-(2-fluorophenyl)piperidin-1-yl]quinoline
CID 174513092
2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172899637
2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 58547975
2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol
CID 58548141
2-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]quinoline
CID 58547880
3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 171702059
1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
CID 163349464

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline?
The IUPAC name of 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline (CID 171702682) is 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline is Cc1cnc(OC2CCN(c3ccc4ccccc4n3)C2)nc1.
What is the InChIKey of 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline?
The InChIKey is WBZLLVSOQXDYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-10-19-18(20-11-13)23-15-8-9-22(12-15)17-7-6-14-4-2-3-5-16(14)21-17/h2-7,10-11,15H,8-9,12H2,1H3.
What are the key properties of 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline?
2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline has a molecular weight of 306.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline is sourced from PubChem (CID 171702682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).