(5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione

C19H21N3O2 — CID 99783378

IUPAC(5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C2CC2)NC(=O)N(Cc2cc(C)nc3ccccc23)C1=O
InChIInChI=1S/C19H21N3O2/c1-3-19(14-8-9-14)17(23)22(18(24)21-19)11-13-10-12(2)20-16-7-5-4-6-15(13)16/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,21,24)/t19-/m0/s1
InChIKeyJXFBSHGVOUVUBZ-IBGZPJMESA-N
MW323.40 g/mol
LogP3.15
Rot. Bonds4

About (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 99783378) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID99783378
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C2CC2)NC(=O)N(Cc2cc(C)nc3ccccc23)C1=O
InChIInChI=1S/C19H21N3O2/c1-3-19(14-8-9-14)17(23)22(18(24)21-19)11-13-10-12(2)20-16-7-5-4-6-15(13)16/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,21,24)/t19-/m0/s1
InChIKeyJXFBSHGVOUVUBZ-IBGZPJMESA-N
XLogP3.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione
CID 79232247
(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 95631707
(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 26279744
5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one
CID 113441333
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79231737
2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
CID 79232786
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
CID 81495492
2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline
CID 79232801
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine
CID 79241377
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione (CID 99783378) is (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione is CC[C@@]1(C2CC2)NC(=O)N(Cc2cc(C)nc3ccccc23)C1=O.
What is the InChIKey of (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JXFBSHGVOUVUBZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-19(14-8-9-14)17(23)22(18(24)21-19)11-13-10-12(2)20-16-7-5-4-6-15(13)16/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,21,24)/t19-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 323.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99783378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).