4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline

C20H22N4O — CID 125012653

IUPAC4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
SMILESCOc1ncc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)cn1
InChIInChI=1S/C20H22N4O/c1-25-20-22-11-16(12-23-20)14-24-9-7-15(13-24)10-17-6-8-21-19-5-3-2-4-18(17)19/h2-6,8,11-12,15H,7,9-10,13-14H2,1H3/t15-/m1/s1
InChIKeyVZLJEBMJLJMQRX-OAHLLOKOSA-N
MW334.42 g/mol
LogP3.10
Rot. Bonds5

About 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline

4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline (PubChem CID 125012653) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
PubChem CID125012653
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
SMILESCOc1ncc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)cn1
InChIInChI=1S/C20H22N4O/c1-25-20-22-11-16(12-23-20)14-24-9-7-15(13-24)10-17-6-8-21-19-5-3-2-4-18(17)19/h2-6,8,11-12,15H,7,9-10,13-14H2,1H3/t15-/m1/s1
InChIKeyVZLJEBMJLJMQRX-OAHLLOKOSA-N
XLogP3.10
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 110098889
4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 124946132
2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 110102779
(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711012
[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol
CID 95131742
2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
CID 131893140
(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134712765
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
trifluoro-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]boranuide
CID 169307345

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
The IUPAC name of 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline (CID 125012653) is 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline.
What is the SMILES notation for 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
The canonical SMILES for 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline is COc1ncc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)cn1.
What is the InChIKey of 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
The InChIKey is VZLJEBMJLJMQRX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-20-22-11-16(12-23-20)14-24-9-7-15(13-24)10-17-6-8-21-19-5-3-2-4-18(17)19/h2-6,8,11-12,15H,7,9-10,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline has a molecular weight of 334.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline is sourced from PubChem (CID 125012653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).