3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol

C18H25N3O2 — CID 56897852

IUPAC3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol
SMILESCc1cccc2cc(CO)c(N3CCC(O)(CN(C)C)C3)nc12
InChIInChI=1S/C18H25N3O2/c1-13-5-4-6-14-9-15(10-22)17(19-16(13)14)21-8-7-18(23,12-21)11-20(2)3/h4-6,9,22-23H,7-8,10-12H2,1-3H3
InChIKeyVOUCLYHDSXUHHT-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.54
Rot. Bonds4

About 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol

3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol (PubChem CID 56897852) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol
PubChem CID56897852
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol
SMILESCc1cccc2cc(CO)c(N3CCC(O)(CN(C)C)C3)nc12
InChIInChI=1S/C18H25N3O2/c1-13-5-4-6-14-9-15(10-22)17(19-16(13)14)21-8-7-18(23,12-21)11-20(2)3/h4-6,9,22-23H,7-8,10-12H2,1-3H3
InChIKeyVOUCLYHDSXUHHT-UHFFFAOYSA-N
XLogP1.54
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-8-methylquinolin-3-yl)methanol;(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methanol
CID 90281763
(5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195385
4-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72860489
[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol
CID 56746136
4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide
CID 144663519
(3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol
CID 95866834
[8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol
CID 155918297
2-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 95896523
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 124983809
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99931569
N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide
CID 42364369
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 124943331

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol (CID 56897852) is 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol is Cc1cccc2cc(CO)c(N3CCC(O)(CN(C)C)C3)nc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol?
The InChIKey is VOUCLYHDSXUHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-5-4-6-14-9-15(10-22)17(19-16(13)14)21-8-7-18(23,12-21)11-20(2)3/h4-6,9,22-23H,7-8,10-12H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol?
3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol has a molecular weight of 315.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-[3-(hydroxymethyl)-8-methylquinolin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 56897852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).