[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone

C25H22N2O4 — CID 176501286

IUPAC[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone
SMILESCOc1nc2ccccc2cc1-c1cccc2cc(C(=O)N3C[C@@H](O)[C@H](O)C3)ccc12
InChIInChI=1S/C25H22N2O4/c1-31-24-20(12-16-5-2-3-8-21(16)26-24)19-7-4-6-15-11-17(9-10-18(15)19)25(30)27-13-22(28)23(29)14-27/h2-12,22-23,28-29H,13-14H2,1H3/t22-,23-/m1/s1
InChIKeyNDEHWQWNBYQGNH-DHIUTWEWSA-N
MW414.46 g/mol
LogP3.24
Rot. Bonds3

About [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone

[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone (PubChem CID 176501286) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone
PubChem CID176501286
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone
SMILESCOc1nc2ccccc2cc1-c1cccc2cc(C(=O)N3C[C@@H](O)[C@H](O)C3)ccc12
InChIInChI=1S/C25H22N2O4/c1-31-24-20(12-16-5-2-3-8-21(16)26-24)19-7-4-6-15-11-17(9-10-18(15)19)25(30)27-13-22(28)23(29)14-27/h2-12,22-23,28-29H,13-14H2,1H3/t22-,23-/m1/s1
InChIKeyNDEHWQWNBYQGNH-DHIUTWEWSA-N
XLogP3.24
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone with MolForge

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Related Compounds

[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[5-(3,5-dimethoxyphenyl)naphthalen-2-yl]methanone
CID 175642946
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(2-methoxypyrimidin-5-yl)naphthalen-2-yl]methanone
CID 172662609
[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone
CID 175644974
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-[5-(5-methyl-1H-indol-3-yl)naphthalen-2-yl]methanone
CID 175640704
(5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 123575472
2-fluoro-3-[6-[3-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]naphthalen-1-yl]benzoic acid
CID 175643836
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
(3-hydroxyazetidin-1-yl)-[3-(6-methoxy-2-pyridinyl)phenyl]methanone
CID 118772155
[(3R)-3-aminopyrrolidin-1-yl]-[5-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalen-2-yl]methanone;hydrochloride
CID 172912320

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone?
The IUPAC name of [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone (CID 176501286) is [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone.
What is the SMILES notation for [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone?
The canonical SMILES for [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone is COc1nc2ccccc2cc1-c1cccc2cc(C(=O)N3C[C@@H](O)[C@H](O)C3)ccc12.
What is the InChIKey of [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone?
The InChIKey is NDEHWQWNBYQGNH-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-31-24-20(12-16-5-2-3-8-21(16)26-24)19-7-4-6-15-11-17(9-10-18(15)19)25(30)27-13-22(28)23(29)14-27/h2-12,22-23,28-29H,13-14H2,1H3/t22-,23-/m1/s1.
What are the key properties of [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone?
[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone has a molecular weight of 414.46 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone is sourced from PubChem (CID 176501286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).