[2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol

C23H26N2O3 — CID 97280768

IUPAC[2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol
SMILESCOc1ccc(OC)c([C@H]2CCN(c3nc4cc(C)ccc4cc3CO)C2)c1
InChIInChI=1S/C23H26N2O3/c1-15-4-5-16-11-18(14-26)23(24-21(16)10-15)25-9-8-17(13-25)20-12-19(27-2)6-7-22(20)28-3/h4-7,10-12,17,26H,8-9,13-14H2,1-3H3/t17-/m0/s1
InChIKeyFFVLYFVHWQUSQW-KRWDZBQOSA-N
MW378.47 g/mol
LogP4.05
Rot. Bonds5

About [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol

[2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol (PubChem CID 97280768) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol
PubChem CID97280768
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name[2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol
SMILESCOc1ccc(OC)c([C@H]2CCN(c3nc4cc(C)ccc4cc3CO)C2)c1
InChIInChI=1S/C23H26N2O3/c1-15-4-5-16-11-18(14-26)23(24-21(16)10-15)25-9-8-17(13-25)20-12-19(27-2)6-7-22(20)28-3/h4-7,10-12,17,26H,8-9,13-14H2,1-3H3/t17-/m0/s1
InChIKeyFFVLYFVHWQUSQW-KRWDZBQOSA-N
XLogP4.05
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 95129075
[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
CID 97438095
1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70750807
6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 97271592
[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol
CID 133337541
(3S)-3-(2,5-dimethoxyphenyl)-1-[(E)-2-methylbut-2-enyl]pyrrolidine
CID 95134904
(3aR,5R,6R,7aS)-6-(dimethylamino)-2-[3-(hydroxymethyl)-7-methylquinolin-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 175642375
2-chloro-3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-7-methoxyquinoline
CID 26201479
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70740438
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine
CID 95135764

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol?
The IUPAC name of [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol (CID 97280768) is [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol.
What is the SMILES notation for [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol?
The canonical SMILES for [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol is COc1ccc(OC)c([C@H]2CCN(c3nc4cc(C)ccc4cc3CO)C2)c1.
What is the InChIKey of [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol?
The InChIKey is FFVLYFVHWQUSQW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-4-5-16-11-18(14-26)23(24-21(16)10-15)25-9-8-17(13-25)20-12-19(27-2)6-7-22(20)28-3/h4-7,10-12,17,26H,8-9,13-14H2,1-3H3/t17-/m0/s1.
What are the key properties of [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol?
[2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol has a molecular weight of 378.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-7-methylquinolin-3-yl]methanol is sourced from PubChem (CID 97280768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).