6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline

C18H18N4 — CID 124986639

IUPAC6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
SMILESc1cnc2ccc(CN3CCC[C@H]3c3ccncn3)cc2c1
InChIInChI=1S/C18H18N4/c1-3-15-11-14(5-6-16(15)20-8-1)12-22-10-2-4-18(22)17-7-9-19-13-21-17/h1,3,5-9,11,13,18H,2,4,10,12H2/t18-/m0/s1
InChIKeyOABMDZBNQWBWFK-SFHVURJKSA-N
MW290.37 g/mol
LogP3.36
Rot. Bonds3

About 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline

6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline (PubChem CID 124986639) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
PubChem CID124986639
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
SMILESc1cnc2ccc(CN3CCC[C@H]3c3ccncn3)cc2c1
InChIInChI=1S/C18H18N4/c1-3-15-11-14(5-6-16(15)20-8-1)12-22-10-2-4-18(22)17-7-9-19-13-21-17/h1,3,5-9,11,13,18H,2,4,10,12H2/t18-/m0/s1
InChIKeyOABMDZBNQWBWFK-SFHVURJKSA-N
XLogP3.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 110267405
4-[(2S)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 124954065
4-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 124954066
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
CID 127244845
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469231
[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
CID 125014646

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline (CID 124986639) is 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline is c1cnc2ccc(CN3CCC[C@H]3c3ccncn3)cc2c1.
What is the InChIKey of 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline?
The InChIKey is OABMDZBNQWBWFK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-15-11-14(5-6-16(15)20-8-1)12-22-10-2-4-18(22)17-7-9-19-13-21-17/h1,3,5-9,11,13,18H,2,4,10,12H2/t18-/m0/s1.
What are the key properties of 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline?
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline has a molecular weight of 290.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 124986639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).