[(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol

C21H23N3O2 — CID 69288728

IUPAC[(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC[C@H]2CO)c2ccc(OCc3cccnc3)cc2n1
InChIInChI=1S/C21H23N3O2/c1-15-10-21(24-9-3-5-17(24)13-25)19-7-6-18(11-20(19)23-15)26-14-16-4-2-8-22-12-16/h2,4,6-8,10-12,17,25H,3,5,9,13-14H2,1H3/t17-/m0/s1
InChIKeyIACRSOKSJFPALK-KRWDZBQOSA-N
MW349.43 g/mol
LogP3.48
Rot. Bonds5

About [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 69288728) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID69288728
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC[C@H]2CO)c2ccc(OCc3cccnc3)cc2n1
InChIInChI=1S/C21H23N3O2/c1-15-10-21(24-9-3-5-17(24)13-25)19-7-6-18(11-20(19)23-15)26-14-16-4-2-8-22-12-16/h2,4,6-8,10-12,17,25H,3,5,9,13-14H2,1H3/t17-/m0/s1
InChIKeyIACRSOKSJFPALK-KRWDZBQOSA-N
XLogP3.48
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 22641299
[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
4-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylquinazolin-7-yl]oxymethyl]benzonitrile
CID 18452851
2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride
CID 22641317
4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride
CID 23433971
[1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol
CID 18452846
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612
2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride
CID 22641473
1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 83137838
4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine
CID 174465224
4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline
CID 69288784

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol (CID 69288728) is [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol is Cc1cc(N2CCC[C@H]2CO)c2ccc(OCc3cccnc3)cc2n1.
What is the InChIKey of [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is IACRSOKSJFPALK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-10-21(24-9-3-5-17(24)13-25)19-7-6-18(11-20(19)23-15)26-14-16-4-2-8-22-12-16/h2,4,6-8,10-12,17,25H,3,5,9,13-14H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 349.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 69288728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).