(3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione

C25H22ClN5O3 — CID 59484179

IUPAC(3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CN3C(=O)C[C@@H](C)C3=O)c2n1
InChIInChI=1S/C25H22ClN5O3/c1-15-8-23(32)31(25(15)33)12-17-10-28-11-20(26)19(17)13-34-22-5-3-4-18-21(30-7-6-27-14-30)9-16(2)29-24(18)22/h3-7,9-11,14-15H,8,12-13H2,1-2H3/t15-/m1/s1
InChIKeyDVSRCDVQOWGALF-OAHLLOKOSA-N
MW475.94 g/mol
LogP4.25
Rot. Bonds6

About (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione

(3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 59484179) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID59484179
Molecular FormulaC25H22ClN5O3
Molecular Weight475.94 g/mol
Exact Mass475.14
IUPAC Name(3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CN3C(=O)C[C@@H](C)C3=O)c2n1
InChIInChI=1S/C25H22ClN5O3/c1-15-8-23(32)31(25(15)33)12-17-10-28-11-20(26)19(17)13-34-22-5-3-4-18-21(30-7-6-27-14-30)9-16(2)29-24(18)22/h3-7,9-11,14-15H,8,12-13H2,1-2H3/t15-/m1/s1
InChIKeyDVSRCDVQOWGALF-OAHLLOKOSA-N
XLogP4.25
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide
CID 59484368
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
CID 59484045
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 59483968
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide
CID 59484076
8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59484241
8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59484396
2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide
CID 59484278
8-[(2,4-dimethyl-3-pyridinyl)methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59483960
(2R)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 57002860
N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide
CID 56977731
2-acetamido-N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 18704953
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol
CID 161202215

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione (CID 59484179) is (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione is Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CN3C(=O)C[C@@H](C)C3=O)c2n1.
What is the InChIKey of (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is DVSRCDVQOWGALF-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c1-15-8-23(32)31(25(15)33)12-17-10-28-11-20(26)19(17)13-34-22-5-3-4-18-21(30-7-6-27-14-30)9-16(2)29-24(18)22/h3-7,9-11,14-15H,8,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione?
(3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 475.94 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 59484179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).