(5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione

C20H22N6O3 — CID 129326346

IUPAC(5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione
SMILESCOCCn1cc(C[C@H]2NC(=O)N(Cc3cc(C)nc4ccccc34)C2=O)nn1
InChIInChI=1S/C20H22N6O3/c1-13-9-14(16-5-3-4-6-17(16)21-13)11-26-19(27)18(22-20(26)28)10-15-12-25(24-23-15)7-8-29-2/h3-6,9,12,18H,7-8,10-11H2,1-2H3,(H,22,28)/t18-/m1/s1
InChIKeyJCBQPGOQOOYVNU-GOSISDBHSA-N
MW394.44 g/mol
LogP1.44
Rot. Bonds7

About (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 129326346) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID129326346
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name(5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione
SMILESCOCCn1cc(C[C@H]2NC(=O)N(Cc3cc(C)nc4ccccc34)C2=O)nn1
InChIInChI=1S/C20H22N6O3/c1-13-9-14(16-5-3-4-6-17(16)21-13)11-26-19(27)18(22-20(26)28)10-15-12-25(24-23-15)7-8-29-2/h3-6,9,12,18H,7-8,10-11H2,1-2H3,(H,22,28)/t18-/m1/s1
InChIKeyJCBQPGOQOOYVNU-GOSISDBHSA-N
XLogP1.44
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-(1-benzothiophen-2-ylmethyl)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione
CID 129326288
3-(1-benzothiophen-2-ylmethyl)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione
CID 129004212
(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 129327963
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione
CID 129000797
2-[[(4S)-4-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 129326885
(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 95631707
(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione
CID 129326025
3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione
CID 129004274
1-[(2-methylquinolin-4-yl)methyl]triazole-4-carbaldehyde
CID 79240975
3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione
CID 79232247
5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one
CID 113441333
(5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione
CID 99783378

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione (CID 129326346) is (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione is COCCn1cc(C[C@H]2NC(=O)N(Cc3cc(C)nc4ccccc34)C2=O)nn1.
What is the InChIKey of (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JCBQPGOQOOYVNU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-13-9-14(16-5-3-4-6-17(16)21-13)11-26-19(27)18(22-20(26)28)10-15-12-25(24-23-15)7-8-29-2/h3-6,9,12,18H,7-8,10-11H2,1-2H3,(H,22,28)/t18-/m1/s1.
What are the key properties of (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 394.44 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 129326346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).